dioxygen — label CAS 7782-44-7

dioxygen

1,00 €

Tlen, CAS 7782-44-7

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MolGod_SDSCARD_1
REACH 2020/878
v2 · 15.07.2026
Category:
🧬 3D Molecule Visualizer
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3D model Oxygen, CAS 7782-44-7, molecular formula O2, molar mass 31.999 g/mol
Chemical Overview: OxygenMolGod_OVERVIEW_1
Molecular formulaO2
Molecular weight31.999 g/mol
Melting point-218.4 °C
Boiling point-182.96 °C
Density1.14 g/cm³
LogP (lipophilicity)-1.1
SMILESO=O
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N

Synonyms: oxygen · Molecular oxygen · oxygen molecule · Dioxygen · 7782-44-7

Data sources: PubChem (NLM/NIH)
Last updated: 2026-11-10

📊 Physicochemical properties

Quick Reference

Formula: O2
MW: 32.00 g/mol
CAS: 7782-44-7
Appearance: Colorless gas
Odour: Odorless
Odour: Odorless

Detailed Properties

Property Value Unit Conditions Source
Density (ρ) 1.1400 g/cm³ 147 °C (296.6 °F) PubChem PUG-View
Melting Point (mp) -218.40 °C (-361.1 °F) 1 atm PubChem PUG-View
Boiling Point (bp) -297.3 °F at 760 mmHg (USCG, 1999) PubChem (NIH/NLM) ↗
Vapor Pressure 1 kPa at -211.9 °C (-349.4 °F); 10 kPa at -200.5 °C (-328.9 °F); 100 kPa at -183.1 °C (-297.6 °F) PubChem (NIH/NLM) ↗
Water Solubility 39mg/L PubChem (NIH/NLM) ↗
Viscosity (η) Gas: 101.325 kPa at 25 °C (0.020 75 cP); Liquid: 99.70 K (0.156 cP) PubChem (NIH/NLM) ↗
Refractive Index (nD) Index of refraction: liq: 1.2243 at -181 °C (-293.8 °F)/D PubChem (NIH/NLM) ↗
🔬 Advanced Properties

Chemical Identifiers

SMILES: O=O
InChI: InChI=1S/O2/c1-2
InChIKey: MYMOFIZGZYHOMD-UHFFFAOYSA-N

Data sources: PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)

Last updated: 2026-07-11

Regulatory status of the substance
This substance is subject to regulatory requirements: hazardous waste management (BDO register). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.
🧮 Stoichiometry CalculatorMolGod_STOICH_1
🔍 External identifiersMolGod_EXTID_1
7 of 16 ID systems44%
DatabaseIdentifierActions
CAS Registry Number7782-44-7Open →
PubChem CID977Open →
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-NOpen →
InChIInChI=1S/O2/c1-2
SMILESO=O
EC Number231-956-9Open →
WikiData QIDQ618153Open →

Sources: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

⚛ Atom Visualization — Oxygen MolGod_ATOMVIZ_1
O
Oxygen
Oxygen
Z = 8 | Nonmetal
Atomic mass
15.999 u
Melting point
-218.79 °C
Boiling point
-182.96 °C
Density
0.00143 g/cm³
Electronegativity
3.44
Group / Period
16 / 2
8 protons
8 neutronów
K: 2e⁻ L: 6e⁻
[He] 2s² 2p⁴
📡 Spectroscopy — CAS 7782-44-7MolGod_SPECHUB_MAIN
📊 Spectroscopic spectra databases — inline data 8 sources MolGod_SPECDB_2

Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Click to load spectrum
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Click to load spectrum
🔗 Source
— points
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Reference source — no public API. Open in an external database:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Reference source — no public API. Open in an external database:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Reference source — no public API. Open in an external database:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Reference source — no public API. Open in an external database:

🔗 DOAJ →
📚 DOAJ — doaj.org

Data retrieved via MolGod_Spectra_Remote_Fetcher (JCAMP-DX parser) and stored in the wp_molgod_spectra_cache table. Zero duplicate downloads, zero repeat queries to NIST on subsequent visits. Licensing terms are respected (only a deep link plus our own visualization is published).

🔬 Interactive spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum.

IR — Fourier-transform infrared

Loading IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Loading MS — Mass spectrometry (EI 70eV)…

📐 Physical & Chemical Properties (DB) 5 fields MolGod Score: Reliable
Property Value Unit Conditions Source
Melting point -218.40 °C 1 atm PubChem PUG-View
Boiling point -182.96 °C 760 mmHg PubChem PUG-View
Water solubility 37.500 g/L 25°C PubChem PUG-View
Density (ρ) 1.1400 g/cm³ 147°C PubChem PUG-View
logP (octanol/water) -1.100 — 25°C PubChem PUG-View
📚 Scientific references (Chicago Author-Date) (12 sources)
  1. Haynes, William M., ed. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press/Taylor & Francis. ISBN 978-1-032-55554-4. ↗
  2. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  3. Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
  4. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
  5. Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
  6. Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
  7. Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
  8. Mannhold, Raimund, and Han van de Waterbeemd. 2001. "Substructure and Whole Molecule Approaches for Calculating Log P." Journal of Computer-Aided Molecular Design 15 (4): 337–354. ↗
  9. Perrin, Ditlev D., Boyd Dempsey, and E. P. Serjeant. 1981. pKa Prediction for Organic Acids and Bases. London: Chapman and Hall. ISBN 0-412-21090-5.
  10. Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
  11. Ertl, Peter, Bernhard Rohde, and Paul Selzer. 2000. "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties." Journal of Medicinal Chemistry 43 (20): 3714–3717. ↗
🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Oxygen concentration in any unit — the rest will be calculated automatically.

MW: 31.999 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)
ConversionFormulaAccuracySource
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliography (8 authoritative sources)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
Solvent compatibilityMolGod_SOLV_1

Estimate based on water solubility and logP. Indicative data — does not replace experimental studies.

SolventCompatibilityNotesReferences
Water+ GoodlogP indicates hydrophilicity
EtOH+ GoodEtOH — universal polar solvent
Acetone~ ModeratePartially compatible
DCM- PoorPoor compatibility with polar solvents
DMSO+ GoodDMSO — strong aprotic solvent
THF~ ModerateTHF — limited for strongly polar compounds
Hexane- PoorPractically insoluble in hexane
CHCl3- PoorPoor compatibility with polar solvents

Data sources for logP/solubility: logP: -1.10

📚 Scientific references for solvents (Chicago Author-Date) — click to expand

Each solvent is supported by 5 independent scientific sources (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS). Full citations below.

Water · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. International Association for the Properties of Water and Steam (IAPWS). 1997. "Release on the Static Dielectric Constant of Ordinary Water Substance." IAPWS R8-97. [link ↗]
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  4. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834. [link ↗]
  5. IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
EtOH · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
  5. IFA. n.d. "Ethanol." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Acetone · NIST CAS lookup ↗
  1. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Acetone." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DCM · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Dichloromethane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DMSO · NIST CAS lookup ↗
  1. Wypych, George. 2019. Handbook of Solvents. Volume 1: Properties. 3rd ed. Toronto: ChemTec Publishing. https://doi.org/10.1016/C2018-0-02235-3. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. National Institute of Standards and Technology. n.d. "Methane, sulfinylbis- (CAS 67-68-5)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  5. IFA. n.d. "Dimethyl sulfoxide." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
THF · NIST CAS lookup ↗
  1. Armarego, Wilfred L. F., and Christina Li Lin Chai. 2009. Purification of Laboratory Chemicals. 6th ed. Oxford: Butterworth-Heinemann. https://doi.org/10.1016/B978-1-85617-567-8.50003-3. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Tetrahydrofuran." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Hexane · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
  4. Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
  5. IFA. n.d. "n-Hexane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
CHCl3 · NIST CAS lookup ↗
  1. International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
  2. National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Chloroform." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Solubility theory (applied in compatibility prediction):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  5. PubChem Compound Database — CAS 7782-44-7 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

🛡️ Safety — CAS 7782-44-7MolGod_SAFEHUB_MAIN
Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS03 — Oxidizing
GHS03 Oxidizing
GHS04 — Gases under pressure
GHS04 Gases under pressure

🚨 Hazard statements (H)

  • H270 — May cause or intensify fire; oxidiser

🛡 Precautionary statements (P)

  • P220 — Keep away from clothing and other combustible materials
  • P261 — Avoid breathing dust/fume/gas/mist/vapours/spray
  • P203 — Obtain, read and follow all safety instructions before use

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 008-001-00-8.

Reference (Chicago): European Chemicals Agency. "oxygen, Index No. 008-001-00-8." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress. Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 7782-44-7 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulations
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Separator: comma, space, tab, new line. Minimum 3 measurements.
📐 Statistical formulas
  • x̄ = Σxᵢ / n — arithmetic mean
  • s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
  • s = √s² — standard deviation
  • RSD% = (s / x̄) × 100% — relative standard deviation
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs' test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Source: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

📚 Technical FAQ — Oxygen (5) MolGod_TECHFAQ_1
❓ Jak przygotować roztwór standardowy tlenu (O2) o stężeniu 10 mg/L?
Aby przygotować roztwór standardowy tlenu o stężeniu 10 mg/L, należy obliczyć masę potrzebnego gazu. Masa molowa O2 wynosi 31.999 g/mol. Stężenie 10 mg/L odpowiada 10 mg w 1 L roztworu. Objętość 1 mola O2 w warunkach normalnych (0°C, 1 atm) wynosi 22.414 L. Masa 1 molowego O2 to 31.999 g. Zatem masa O2 potrzebna do przygotowania 1 L roztworu o stężeniu 10 mg/L wynosi: (10 mg / 1000 ml) * 1000 ml = 10 mg. W warunkach laboratoryjnych, tlen można rozpuścić w wodzie destylowanej pod zwiększonym ciśnieniem, używając butli z tlenem i odpowiedniego sprzętu do napełniania roztworów gazowych.
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❓ W jakich warunkach przechowywać próbki tlenu (O2) w laboratorium?
Tlen (O2) powinien być przechowywany w temperaturze pokojowej, z dala od źródeł ciepła i otwartego ognia. Próbki należy chronić przed bezpośrednim światłem słonecznym, ponieważ tlen jest podatny na fotodegradację. Wilgotność względna powietrza nie powinna przekraczać 60%, aby uniknąć kondensacji pary wodnej wewnątrz pojemników z gazem. Próbki należy przechowywać w szczelnie zamkniętych butlach lub pojemnikach wykonanych z materiałów odpornych na korozję, takich jak stal nierdzewna lub tworzywa sztuczne kompatybilne z tlenem.
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❓ Jaka metoda analityczna jest najbardziej odpowiednia do analizy czystości tlenu (O2) i dlaczego?
Najbardziej odpowiednią metodą analityczną do analizy czystości tlenu (O2) jest chromatografia gazowa (GC), ponieważ tlen jest gazem o niskiej masie molowej (31.999 g/mol) i wysokiej lotności. GC pozwala na szybkie rozdzielenie składników mieszaniny gazowej i dokładne określenie ich stężeń. Detektory płomieniowo-jonizacyjne (FID) lub detektory masowe (MS) mogą być używane do identyfikacji zanieczyszczeń. HPLC nie jest odpowiednia dla gazów, ponieważ wymaga rozpuszczalnika, a tlen jest słabo rozpuszczalny w typowych rozpuszczalnikach organicznych.
Helpful?
❓ Jakie są główne reaktywności i niezgodności chemiczne tlenu (O2) w warunkach laboratoryjnych?
Tlen (O2) jest silnym utleniaczem i może reagować z wieloma substancjami, w tym metalami (np. magnez, lit), związkami organicznymi (np. węglowodory) i niektórymi związkami nieorganicznymi (np. siarka). W warunkach laboratoryjnych należy unikać mieszania tlenu z substancjami łatwopalnymi lub wybuchowymi. Tlen może również reagować z niektórymi materiałami konstrukcyjnymi, takimi jak guma czy tworzywa sztuczne, powodując ich degradację. Przy pracy z tlenem należy stosować odpowiednie środki ochrony osobistej i procedury bezpieczeństwa.
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❓ W jakich praktycznych zastosowaniach laboratoryjnych wykorzystuje się tlen (O2)?
Tlen (O2) jest szeroko stosowany w laboratoriach do różnych celów, w tym: 1) Spalanie próbek w piecach lub palnikach do analizy elementarnej. 2) Generowanie atmosfery ochronnej podczas syntez chemicznych, aby uniknąć utleniania wrażliwych związków. 3) Przygotowywanie próbek do analizy gazowej (GC) poprzez rozpuszczanie gazów w cieczach pod zwiększonym ciśnieniem. 4) Utrzymywanie życia mikroorganizmów w hodowlach biologicznych. 5) Badania nad mechanizmami reakcji redoks i kinetyką chemiczną.
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🧮 Laboratory calculators (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarity (M=n/V)
pH Buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Mass → Moles
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases MolGod_SPECDB_3
🏷️ Label generator (QR) MolGod_LABEL_1
Dioxygen• oxygen / Molecular oxygen• CAS: 7782-44-7• Formula: O2• Mass: 32.00 g/molDANGERGHS HAZARD STATEMENTS:H270: May cause or intensify fire; oxidiserP220: Keep away from clothing and other combustible materialsP261: Avoid breathing dust/fume/gas/mist/vapours/sprayP203: Obtain, read and follow all safety instructions before useDH ScientificScience first. Commerce as consequence.Batch No.: Netto Mass: MFG:
Historical Incidents (CSB/EPA/Bretherick)

This database contains only serious industrial and laboratory incidents (CSB, EPA RMP, Bretherick). The absence of a record does NOT mean the substance is safe — the database is incomplete.

Historical Incidents (5)

  1. 2020-08-04 Beirut Port Hangar 12, Lebanon Catastrophic explosion
    Substances: Ammonium nitrate (high-density seized stockpile) (CAS 6484-52-2) + Welding sparks / ignition source (CAS 7782-44-7)
    218 fatalities 7000 injured

    Detonacja ~2750 ton NH4NO3 (z konfiskaty statku Rhosus 2014, skladowanego niezgodnie z procedurami przez 6 lat). Pozar wywolany pracami spawalniczymi w sasiednim sektorze hangaru z fajerwerkami i innymi materialami. Wybuch sily 0.3-1.1 kT TNT (3.3 magnitude sejsmika), zniszczyl polowe miasta Bejrut.

    Root cause: Lata zaniedban administracyjnych: brak relokacji niebezpiecznego materialu mimo wielokrotnych ostrzezen. Spawanie w sasiedztwie niewlasciwie wentylowanego skladu NH4NO3. Wieloletnia korozja workow umozliwiajaca caking i wzrost reaktywnosci.
    Lessons learned: Konfiskaty NH4NO3 musza byc przeniesione do zatwierdzonych obiektow w ciagu 90 dni (UN ECOSOC rekomendacje 2021). Hot work permits obowiazkowe + monitoring 30 m promienia. Audity bezpieczenstwa portowego przez UE.
    Primary source: FBI / Forensic Architecture / academic seismic analyses
    Bibliography (Chicago author-date)
    • Pilger, Christoph, Patrick Hupe, Peter Gaebler, and Lars Ceranna. 2021. "1001 Rocket Launches for Space Missions and Their Effects on the Seismoacoustic Environment." Geophysical Research Letters 48 (6): e2020GL092262.
    • Rigby, Sam E., et al. 2020. "Preliminary Yield Estimation of the 2020 Beirut Explosion Using Video Footage from Social Media." Shock Waves 30 (6): 671-675.
    • Yu, Guohui, Junjie Wang, Min Hu, Zhiwei Shang, and Jianjun Yu. 2022. "Investigation on the Beirut Explosion Accident Based on Numerical Simulation." Process Safety and Environmental Protection 159: 1010-1023.
  2. 2013-04-17 West, Texas, USA (West Fertilizer Company storage warehouse) Catastrophic explosion
    Substances: Ammonium nitrate (FGAN, fertilizer grade) (CAS 6484-52-2) + Atmospheric oxygen / fire (CAS 7782-44-7)
    15 fatalities 260 injured

    Pozar drewnianego budynku magazynowego zawierajacego ~30 ton FGAN (azotanu amonu nawozowego) oraz dodatkowo seed-grade NH4NO3. Po ~22 minutach pozaru NH4NO3 zdetonowal, tworzac krater 28 m srednicy, niszczac 150 budynkow w promieniu 800 m, w tym dom opieki, szkolu i czesc miasta. 12 strazakow + 2 cywili zginelo.

    Root cause: Brak sprinklerów, drewniana konstrukcja, brak segregacji NH4NO3 od materialow palnych (nasiona, drewno). Zanieczyszczenia organiczne obnizajace temperature wybuchu. Brak federalnej regulacji magazynowania NH4NO3 cywilnego (luka pomiedzy OSHA a EPA RMP).
    Lessons learned: Niepalne konstrukcje + automatyczne sprinklery dla magazynow >5 ton NH4NO3. Wymog separacji od materialow palnych >15 m. ATF/OSHA jurisdiction gaps musza byc zamkniete legislacyjnie.
    Primary source: U.S. Chemical Safety Board (CSB) Investigation Report 2013-02-I-TX
    Bibliography (Chicago author-date)
    • U.S. Chemical Safety and Hazard Investigation Board. 2016. Investigation Report: West Fertilizer Company Fire and Explosion. Report No. 2013-02-I-TX. Washington, DC: CSB.
    • Marlair, Guy, and Marie-Astrid Kordek. 2005. "Safety and Security Issues Relating to Low Capacity Storage of AN-Based Fertilizers." Journal of Hazardous Materials 123 (1-3): 13-28.
    • U.S. Environmental Protection Agency. 2015. Chemical Safety Alert: Safe Storage, Handling, and Management of Solid Ammonium Nitrate Prills. EPA 550-F-15-001.
  3. 2005-12-11 Hemel Hempstead, Hertfordshire, UK (Buncefield Oil Storage Depot) High explosion
    Substances: Atmospheric oxygen / ignition (pump house electrical) (CAS 7782-44-7) + Gasoline (unleaded petrol) (CAS 8006-61-9)
    43 injured

    Przepelnienie zbiornika 912 (~6000 m3 gasoline) podczas nocnego transferu z rurociagu BPA. Mechanizm float-and-tape level gauge zacial sie, wysoko-poziomowy switch (IHLS) byl unsprawny. Powstala chmura ~250 ton parow benzyny rozplynela sie po terenie depo. Zaplon na pump house (electrical) wywolal rzadki overpressurized vapor cloud explosion w obszarze zalesionym (Buncefield Effect). Gigantyczny pozar 5 dni, 23 zbiorniki spalone.

    Root cause: Single-point of failure w level measurement. IHLS independent z poprawnymi procedurami test (last test 5 lat przed incydentem). Brak overfill prevention system zgodny z API 2350. Tank far overflowing w cichych warunkach (niska wiatry → akumulacja oparow zamiast dispersji).
    Lessons learned: Sil 1-2 IHLS + manual gauge redundancja (HSE COMAH guidance 2007). Bunding 110% dla cieczy palnych. Sprinklery i foam systems jako standard. ATEX zoning rewizja - benzyna w cichych warunkach generuje Zone 1 do 250 m.
    Primary source: UK HSE / Buncefield Major Incident Investigation Board (MIIB)
    Bibliography (Chicago author-date)
    • Buncefield Major Incident Investigation Board. 2008. The Buncefield Incident 11 December 2005: The Final Report of the Major Incident Investigation Board. Vol. 1. London: HSE Books.
    • Atkinson, Graham, and Laurence Cusco. 2011. "Buncefield: A Violent, Episodic Vapour Cloud Explosion." Process Safety and Environmental Protection 89 (6): 360-370.
    • Health and Safety Executive (HSE). 2011. Buncefield: Why Did It Happen? Bootle: HSE.
  4. 2005-03-23 Texas City, Texas, USA (BP Products North America refinery, ISOM unit) Catastrophic explosion
    Substances: Hydrocarbon raffinate (ethanol-grade isomerate) (CAS 64-17-5) + Oxygen / atmospheric air (CAS 7782-44-7)
    15 fatalities 180 injured

    Podczas rozruchu kolumny izomeryzacji raffinate splitter doszlo do przepelnienia kolumny i nadcisnienia w systemie blowdown drum. Zawory bezpieczenstwa odprowadzily palne weglowodory do atmosferycznego komina (blowdown stack), tworzac chmure gazowo-cieczowa nad zatlonzonymi przyczepami biurowymi. Zaplon (przypuszczalnie z silnika diesla pikapa) wywolal vapor cloud explosion (VCE).

    Root cause: Atmosferyczny blowdown stack zamiast flare. Brak kalibracji wskaznikow poziomu w kolumnie. 5 dni przedluzonego rozruchu z brakiem snu obslugi. Cuts in budget for maintenance i safety culture failure (CSB ustalil systemowe przyczyny korporacyjne).
    Lessons learned: Eliminacja atmospheric blowdown stacks (zastapienie flare). Mechaniczne barierki/odleglosc pomiedzy procesami a obszarami zamieszkalymi. Process Safety Management (PSM) audity nie moga byc tylko papierowe.
    Primary source: U.S. Chemical Safety Board (CSB) Investigation Report No. 2005-04-I-TX
    Bibliography (Chicago author-date)
    • U.S. Chemical Safety and Hazard Investigation Board. 2007. Investigation Report: Refinery Explosion and Fire, BP Texas City. Report No. 2005-04-I-TX. Washington, DC: CSB.
    • Baker, James A., et al. 2007. The Report of the BP U.S. Refineries Independent Safety Review Panel. Houston: BP.
    • Hopkins, Andrew. 2008. Failure to Learn: The BP Texas City Refinery Disaster. Sydney: CCH Australia.
  5. 1989-10-23 Pasadena, Texas, USA (Phillips 66 Houston Chemical Complex, HCC) Catastrophic explosion
    Substances: Ethylene (high-pressure HDPE feed) (CAS 74-85-1) + Oxygen / atmospheric air ingress (CAS 7782-44-7)
    23 fatalities 314 injured

    Podczas konserwacji reaktora HDPE settling leg (rurociag 22") doszlo do otwarcia zaworu DEMCO w trakcie procedury maintenance. Uwolnienie ~38 ton mieszaniny etylen/izobutan/wodor stworzylo chmure gazowo-powietrzna, ktora zaplonila po ~90 sekundach (zrodlo nieustalone definitywnie). VCE o sile 2.4 ton TNT, zniszczyl HDPE complex.

    Root cause: Single-block valve zamiast double-block-and-bleed. Procedury LO/TO niewlasciwe (compressed air zasilajacy aktuatory zaworow podlaczony do "open" zamiast "close" portow). Brak gas detection w okolicy reactora. Unauthorized work przy non-routine maintenance.
    Lessons learned: Double-block-and-bleed valve standard dla high-pressure reactor isolation. Kierunek pneumatic actuators musi byc fail-safe. OSHA PSM standard 29 CFR 1910.119 (1992) jest bezposrednim wynikiem tego incydentu.
    Primary source: OSHA + Phillips 66 + peer-reviewed Process Safety literature
    Bibliography (Chicago author-date)
    • U.S. Department of Labor, Occupational Safety and Health Administration. 1990. The Phillips 66 Company Houston Chemical Complex Explosion and Fire. Washington, DC: OSHA.
    • Atherton, John, and Frederic Gil. 2008. Incidents That Define Process Safety. Hoboken, NJ: Wiley-AIChE.
    • Khan, Faisal I., and S. A. Abbasi. 1999. "Major Accidents in Process Industries and an Analysis of Causes and Consequences." Journal of Loss Prevention in the Process Industries 12 (5): 361-378.
📚 Incident data sources
  1. U.S. Chemical Safety and Hazard Investigation Board (CSB). 2024. "CSB Incident Investigation Reports." Washington, DC: CSB. 🔗
  2. U.S. EPA / NOAA. 2024. "CAMEO Chemicals Database." Washington, DC: U.S. Environmental Protection Agency. 🔗
  3. BARPI (French Bureau for Analysis of Industrial Risks and Pollutions). 2024. "ARIA Database of Industrial Accident Reports." Saint-Denis: BARPI/DGPR. 🔗
  4. U.S. OSHA. 2024. "OSHA Accident Investigation Reports." Washington, DC: Occupational Safety and Health Administration. 🔗
  5. Urben, Peter G., ed. 2017. Bretherick's Handbook of Reactive Chemical Hazards. 8th ed. Oxford: Elsevier. ISBN 978-0-08-100971-2.
  6. Mannan, Sam, ed. 2005. Lees' Loss Prevention in the Process Industries. 3rd ed. Oxford: Elsevier. ISBN 978-0-7506-7555-0.
  7. Hollnagel, Erik. 2004. Barriers and Accident Prevention. Aldershot: Ashgate. ISBN 978-0-7546-2271-9.
  8. Kletz, Trevor A. 2003. "Lessons from Disasters — How Organizations Have No Memory and Accidents Recur." Process Safety and Environmental Protection 81 (4): 283–287. 🔗
📚 Scientific literature overview — CAS 7782-44-7MolGod_LITHUB_MAIN
⭐ Key findings (scientific literature) 20 publications
🏆 CAS 7782-44-7 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Klemens Hocke (2023) · Oxygen
    Why it matters: Recent (2023) · open access
    SCORE 9.01 Mechanism Citations: 8 Open Access DOI ↗
  2. #2
    et al. (2026) · Nature Communications
    Why it matters: Recent (2026) · open access
    SCORE 8.65 Mechanism Open Access DOI ↗ PubMed ↗
  3. #3
    et al. (2026) · RSC Advances
    Why it matters: Recent (2026) · open access
    SCORE 7.68 Mechanism Citations: 2 Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2026) · Biomaterials Research
    Why it matters: Recent (2026) · open access
    SCORE 7.15 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2026) · Bioconjugate Chemistry
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  6. #6
    Guanghui Yang; Jong‐Min Lee (2026) · ChemSusChem
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗ PubMed ↗
  7. #7
    Emelie Nilsson, Laura Seidel, Laura Seidel et al. (2026) · Frontiers in Microbiology
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access DOI ↗
  8. #8
    Min-Ju Choi, Le Wang, Krishna Prasad Koirala et al. (2026) · arXiv (2611.02796v1)
    Why it matters: Recent (2026) · open access
    SCORE 7.05 Mechanism Open Access
  9. #9
    et al. (2026) · Frontiers in Medicine
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Pharmacology Open Access DOI ↗ PubMed ↗
  10. #10
    Wang P, Huang Q, Liu B et al. (2025) · Medical gas research
    Why it matters: Recent (2025) · review · open access
    SCORE 6.25 Review Open Access DOI ↗ PubMed ↗
  11. #11
    et al. (2026) · Frontiers in Molecular Neuroscience
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2026) · ACS Measurement Science Au
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  13. #13
    et al. (2026) · Advanced Healthcare Materials
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  14. #14
    et al. (2026) · RSC Advances
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗ PubMed ↗
  15. #15
    Md. Motaher Hossain, Farjana Sultana, Mrinmoy Kundu et al. (2026) · Frontiers in Plant Physiology
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗
  16. #16
    Yaideny Rodriguez Linares, Gilberto A. Alou Angulo, Samuel Del Fré et al. (2026) · arXiv (2611.12573v1)
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access
  17. #17
    A. E. Allahverdyan, S. G. Gevorkian, A. Harutyunyan et al. (2026) · arXiv (2611.00824v1)
    Why it matters: Recent (2026) · open access
    SCORE 6.25 Mechanism Open Access DOI ↗
  18. #18
    Walsh BK, Smallwood CD (2017) · Respiratory care
    Why it matters: Review · open access
    SCORE 4.35 Review Open Access DOI ↗ PubMed ↗
  19. #19
    Fischer MO (2026) · British journal of anaesthesia
    Why it matters: Must-cite (canon) · recent (2026) · review
    SCORE 4 Review MUST-CITE DOI ↗
  20. #20
    Brooks SE; Dammann CEL; Dammann O (2026) · Early human development
    Why it matters: Must-cite (canon) · recent (2026) · review
    SCORE 4 Review MUST-CITE DOI ↗

Description

Tlen, CAS 7782-44-7

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📈 HPLC gradient — optimizer (LSS) TEMPLATE

Gradient based on PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

  • Column: C18
  • Buffer: phosphate
  • Flow: 1 mL/min
  • logP: -1.1 (PubChem XLogP3)
  • Ramp: 5% → 95% B, 10 min
  • Total analysis time: 23 min
t (min) %A %B flow (mL/min) Comment
0 95 5 1 start (equilibrium)
2 95 5 1 end of initial hold
12 5 95 1 end of LSS ramp
17 5 95 1 column wash
18 95 5 1 return to init
23 95 5 1 re-equilibration
📚 Scientific references (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. [DOI ↗]

REST: /wp-json/molgod/v1/hplc/gradient/7782-44-7

📐 HPLC peak symmetry calculator (USP Tf / As)

Calculate the USP tailing factor (Tf) and asymmetry (As) from the peak half-widths. Enter a (left half-width) and b (right half-width) measured at 5% or 10% of peak height.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
📊 Resolution and plate count calculator (Rs, N, H)

Calculate the resolution Rs, the number of theoretical plates N and HETP (H) for a pair of HPLC peaks. Enter the retention times, peak widths (at 50% or at the base) and the column length.

📚 References (Chicago Author-Date)
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
  2. USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
  3. Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
  4. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289 https://doi.org/10.1016/0009-2509(56)80003-1 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
  5. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
  6. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
  7. Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364 https://doi.org/10.1093/chromsci/15.9.352 [link ↗]
  8. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]

Related products

🧪 System Suitability — live calculator (USP <621>)

Enter data from 5–6 injections (areas, tR, tailing, plates) — the calculator computes %RSD and means and checks compliance with USP <621>. You can paste CSV (comma-separated) or edit individual values.

📚 References (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."

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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 107 items

All scientific sources cited in the accordions above for CAS 7782-44-7. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

  1. NIST. 2026. NIST Chemistry WebBook: CAS 7782-44-7. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=7782-44-7. (Accessed 2026-11-12.)
  2. AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 7782-44-7. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
  3. PubChem. 2026. PubChem Compound Summary: CAS 7782-44-7. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=7782-44-7. (Accessed 2026-11-12.)
  4. ECHA. 2026. C&L Inventory and REACH Registration: CAS 7782-44-7. Helsinki: European Chemicals Agency. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp. (Accessed 2026-11-12.)

📐 Standards / Guidelines

  1. ICH. 2026. "ICH Harmonised Guideline: CAS 7782-44-7." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-11-12.)
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Books

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monographs

  1. IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 7782-44-7. Lyon, France: International Agency for Research on Cancer, World Health Organization. (Accessed 2026-11-12.)

📄 Scientific articles (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

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  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
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  9. U.S. OSHA. 2026. "Occupational Safety and Health Guidance: CAS 7782-44-7." Washington, DC: U.S. Occupational Safety and Health Administration. https://www.osha.gov/hazwoper. (Accessed 2026-11-12.)
  10. National Fire Protection Association (2018) — NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents https://www.nfpa.org/codes-and-standards/nfpa-472.
  11. European Union. 2026. "EUR-Lex Legal Database: CAS 7782-44-7." Luxembourg: Publications Office of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=celex:32012L0018. (Accessed 2026-11-12.)
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  16. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
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