氧气 — 标签 CAS 7782-44-7

氧气

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Tlen, CAS 7782-44-7

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MolGod_SDSCARD_1
REACH 2020/878
v2 · 15.07.2026
Kategoria:
🧬 3D分子可视化器
正在加载分子...
3D模型Oxygen，CAS 7782-44-7，分子式O2, 摩尔质量 31.999 g/mol

数据转录自法规登记册和专业文献，并注明来源与版本。不能替代供应商的安全数据表。未记录来源的字段已作相应标注。

化学概述: OxygenMolGod_OVERVIEW_1
分子式O2[1]
分子量31.999 g/mol[1]
熔点-218.4 °C[1]
沸点-182.96 °C[1][2]
密度1.14 g/cm³[1]
LogP（亲脂性）-1.1[1]
SMILESO=O[1]
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N[1]

同义词: oxygen · Molecular oxygen · oxygen molecule · Dioxygen · 7782-44-7

数据来源： PubChem (NLM/NIH)
最后更新： 2026-07-30

📚 科学参考文献（芝加哥作者-日期格式） (2 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 分子式 · 分子量 · 熔点 · 沸点 · 密度 · LogP（亲脂性） · SMILES · InChIKey
  2. Reichl, U., and J. Hengstenberg. 1x1 der Gase: Physikalische Daten fur Wissenschaft und Praxis. Munich: Carl Hanser Verlag. applies to: 沸点
📊 物理化学性质

快速参考

化学式： O2
分子量： 31.999 g/mol
CAS号： 7782-44-7
外观： 无色气体
气味： 无味
🔬 高级属性

化学标识符

SMILES: O=O

最后更新： 2026-07-11

物质监管状态
该物质受监管要求约束： 危险废物管理（BDO登记册）. 详细信息请参见“法规状态（REACH/ECHA/CLP）”章节及安全数据表。 监管信息——不限制在本店购买。
🧮 化学计量计算器MolGod_STOICH_1
🔍 外部标识符MolGod_EXTID_1
8 / 16个ID系统50%
数据库标识符操作
CAS Registry Number7782-44-7打开 →
PubChem CID977[1]打开 →
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/O2/c1-2[1]
SMILESO=O[1]
EC Number231-956-9[2]打开 →
ChEMBLCHEMBL1234886[3]打开 →
WikiData QIDQ618153打开 →

来源：PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📚 科学参考文献（芝加哥作者-日期格式） (3 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ applies to: ChEMBL
⚛ 原子可视化 — 氧 MolGod_ATOMVIZ_1
O
氧
Oxygen
Z = 8 | 非金属
原子质量
15.999 u
熔点
-218.79 °C
沸点
-182.96 °C
密度
0.00143 g/cm³
电负性
3.44
族 / 周期
16 / 2
8 质子数
8 neutronów
K: 2e⁻ L: 6e⁻
[He] 2s² 2p⁴
📡 光谱学 — CAS 7782-44-7MolGod_SPECHUB_MAIN
📊 光谱数据库 — 内联数据 8 来源 MolGod_SPECDB_2

光谱按需从9个来源获取。每个光谱都存储在我们的数据库中 — 下次打开时无需向外部API发出请求。无需搜索即可为每个光谱下载JCAMP-DX / CSV / PNG。

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ 点击加载光谱
🔗 来源
— 点
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ 点击加载光谱
🔗 来源
— 点
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ 点击加载光谱
🔗 来源
— 点
📚 NIST Chemistry WebBook, SRD 69
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ 点击加载光谱
🔗 来源
— 点
📚 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

参考来源 — 无公共API。在外部数据库中打开：

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

参考来源 — 无公共API。在外部数据库中打开：

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

参考来源 — 无公共API。在外部数据库中打开：

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

参考来源 — 无公共API。在外部数据库中打开：

🔗 DOAJ →
📚 DOAJ — doaj.org

数据仅获取一次（JCAMP-DX 解析器），并保存在插件的本地数据库中。不重复下载，再次打开时不查询 NIST。遵守许可（仅发布深层链接和自有可视化）。

🔬 交互式光谱（实时 — NIST / MoNA / NMRShiftDB / SDBS） (2)

数据从多个来源实时获取（优先级链）。每个光谱下可下载JCAMP-DX / CSV / PNG。

IR — 傅里叶变换红外光谱

正在加载 IR — 傅里叶变换红外光谱…

MS — 质谱（EI 70eV）

正在加载 MS — 质谱（EI 70eV）…

📐 理化性质（数据库） 5 字段 MolGod评分：可靠
属性 值 单位 条件 来源
熔点 -218.4 [1] °C 1 atm PubChem PUG-View
沸点 -182.96 [1][2] °C PubChem PUG-View
水溶性 37.5 [1][3] g/L 25°C PubChem PUG-View
密度 (ρ) 1.14 [1] g/cm³ 147°C PubChem PUG-View
logP (辛醇/水) -1.1 [1] — PubChem PUG-View
📚 科学参考文献（芝加哥作者-日期格式） (3 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 熔点 · 沸点 · 水溶性 · 密度 (ρ) · logP (辛醇/水)
  2. Reichl, U., and J. Hengstenberg. 1x1 der Gase: Physikalische Daten fur Wissenschaft und Praxis. Munich: Carl Hanser Verlag. applies to: 沸点
  3. International Organization for Standardization (ISO). Water quality - Determination of dissolved oxygen. Geneva: ISO. ↗ applies to: 水溶性

物理化学值来源于上述独立、同行评审的来源。

🔄 浓度单位转换器 实时 MolGod_UNITCONV_1

输入Oxygen浓度（任意单位），其余将自动计算。

分子量： 31.999 g/mol · IUPAC Gold Book ↗

⚗️ 转换公式及引用（每个公式）
转换分子式准确度来源
% (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)
📚 参考文献（8个权威来源）
  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
🛡️ 安全 — CAS 7782-44-7MolGod_SAFEHUB_MAIN
数据限制说明。 本页安全信息仅供参考，不能替代完整的安全数据表（SDS）。使用产品前，请查阅制造商当前的安全数据表以及GHS/CLP指南。CLP分类适用于纯散装物质，不适用于商业制剂。

GHS/CLP分类——(EC) No 1272/2008法规 + UN GHS Rev. 9 (2021)。

⚠️ 危险 (Danger)
GHS03 — 氧化性
GHS03 氧化性
GHS04 — 加压气体
GHS04 加压气体

🚨 危险说明（H）

  • H270 — 可能导致或加剧燃烧；氧化剂

🛡 防范说明（P）

  • P210 — 远离热源、热表面、火花、明火和其他点火源。禁止吸烟。
  • P220 — 远离服装和其他可燃材料。
  • P280 — 戴防护手套/穿防护服/戴防护眼罩/戴防护面具/戴听力保护装置……
  • P370+P378 — 如起火：: 使用……灭火。
  • P501 — 处置内装物/容器……

✓ 根据CLP法规(EC) 1272/2008附件VI的统一分类（官方、具有约束力的分类）。 索引号：008-001-00-8。

参考文献（芝加哥格式）： 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 (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

翻译：CLP 法规 (EC) 1272/2008，附件 III 和 IV。数据：PubChem/NLM。

📚 综合科学参考文献 — Chicago Author-Date 10 来源

从所有Safety Hub选项卡收集的参考文献。CAS号： 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，法规
  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

具有自身参考文献的选项卡（紧急情况、个人防护装备、储存、废物）在其各自章节中包含额外的书目条目。

📈 分析统计（t检验·RSD·Grubbs·Q-Dixon） ICH Q2

粘贴一系列重复测量结果（CSV或每行一个数字）。计算器将计算平均值、标准差和95%置信区间，并检测异常值（Grubbs + Dixon Q）。

分隔符：逗号、空格、制表符、换行。至少3个测量值。
📐 统计公式
  • x̄ = Σxᵢ / n — 算术平均值
  • s² = Σ(xᵢ - x̄)² / (n-1) — 样本方差
  • s = √s² — 标准差
  • RSD% = (s / x̄) × 100% — 相对标准差
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs检验
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

来源：ICH Q2(R2) 分析方法验证 · ICH PDF ↗

🧮 实验室计算器（8个） MolGod_LABCALC_1
稀释（C₁V₁=C₂V₂）
摩尔浓度（M=n/V）
pH缓冲液（Henderson-Hasselbalch）
Beer-Lambert（A=εcl）
质量→摩尔
浓度%→M
ppm→mg/L
温度 C↔F↔K

已验证的配方： IUPAC Gold Book ↗, DOI ↗

📊 光谱数据库 MolGod_SPECDB_3
🏷️ 标签生成器（QR码） MolGod_LABEL_1
氧气• oxygen / Molecular oxygen• CAS: 7782-44-7• 分子式: O2• 摩尔质量: 31.999 g/mol危险GHS危险说明：H270: 可能导致或加剧燃烧；氧化剂P370+P378 P280 P501 P210 P220仅供实验室使用！DH ScientificScience first. Commerce as consequence.批号: 净含量: 生产日期:
Deskryptory Lipinskiego (struktura)
正在加载ADMET预测…
历史事件（CSB/EPA/Bretherick）

该数据库仅包含严重的工业和实验室事件（CSB、EPA RMP、Bretherick）。没有记录并不表示该物质是安全的——数据库不完整。

历史事件 (5)

  1. 2020-08-04 Beirut Port Hangar 12, Lebanon 灾难性 explosion
    物质： Ammonium nitrate (high-density seized stockpile) (CAS 6484-52-2) + Welding sparks / ignition source (CAS 7782-44-7)
    218 人死亡 7000 人受伤

    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.

    根本原因： 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.
    经验教训： 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.
    主要来源： FBI / Forensic Architecture / academic seismic analyses
    参考文献（芝加哥作者-日期格式）
    • 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) 灾难性 explosion
    物质： Ammonium nitrate (FGAN, fertilizer grade) (CAS 6484-52-2) + Atmospheric oxygen / fire (CAS 7782-44-7)
    15 人死亡 260 人受伤

    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.

    根本原因： 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).
    经验教训： Niepalne konstrukcje + automatyczne sprinklery dla magazynow >5 ton NH4NO3. Wymog separacji od materialow palnych >15 m. ATF/OSHA jurisdiction gaps musza byc zamkniete legislacyjnie.
    主要来源： U.S. Chemical Safety Board (CSB) Investigation Report 2013-02-I-TX
    参考文献（芝加哥作者-日期格式）
    • 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) 高 explosion
    物质： Atmospheric oxygen / ignition (pump house electrical) (CAS 7782-44-7) + Gasoline (unleaded petrol) (CAS 8006-61-9)
    43 人受伤

    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.

    根本原因： 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).
    经验教训： 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.
    主要来源： UK HSE / Buncefield Major Incident Investigation Board (MIIB)
    参考文献（芝加哥作者-日期格式）
    • 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) 灾难性 explosion
    物质： Hydrocarbon raffinate (ethanol-grade isomerate) (CAS 64-17-5) + Oxygen / atmospheric air (CAS 7782-44-7)
    15 人死亡 180 人受伤

    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).

    根本原因： 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).
    经验教训： Eliminacja atmospheric blowdown stacks (zastapienie flare). Mechaniczne barierki/odleglosc pomiedzy procesami a obszarami zamieszkalymi. Process Safety Management (PSM) audity nie moga byc tylko papierowe.
    主要来源： U.S. Chemical Safety Board (CSB) Investigation Report No. 2005-04-I-TX
    参考文献（芝加哥作者-日期格式）
    • 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) 灾难性 explosion
    物质： Ethylene (high-pressure HDPE feed) (CAS 74-85-1) + Oxygen / atmospheric air ingress (CAS 7782-44-7)
    23 人死亡 314 人受伤

    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.

    根本原因： 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.
    经验教训： 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.
    主要来源： OSHA + Phillips 66 + peer-reviewed Process Safety literature
    参考文献（芝加哥作者-日期格式）
    • 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.
📚 事件数据来源
  1. Anonymous. 1990. "a all." Oxygen in Catalysis: 474-479. https://doi.org/10.1201/9781482293289-84. [DOI]
  2. Anonymous. "Water and Oxygen Barrier Properties of All-Cellulose Nanocomposites.". https://doi.org/10.1021/acs.biomac.3c01337.s001. [DOI]
  3. Anonymous. "BiFeO3Based All Perovskite Oxides Direct ZScheme Heterostructure for Efficient Oxygen Evolution.". https://doi.org/10.1021/acsaem.3c00087.s002. [DOI]
  4. Anonymous. "BiFeO3Based All Perovskite Oxides Direct ZScheme Heterostructure for Efficient Oxygen Evolution.". https://doi.org/10.1021/acsaem.3c00087.s001. [DOI]
  5. Anonymous. "Investigation of Oxygen Passivation for High-Performance All-Inorganic Perovskite Solar Cells.". https://doi.org/10.1021/jacs.9b07182.s001. [DOI]
  6. U.S. Chemical Safety and Hazard Investigation Board (CSB). 2024. "CSB Incident Investigation Reports." Washington, DC: CSB. 🔗
  7. U.S. EPA / NOAA. 2024. "CAMEO Chemicals Database." Washington, DC: U.S. Environmental Protection Agency. 🔗
  8. BARPI (French Bureau for Analysis of Industrial Risks and Pollutions). 2024. "ARIA Database of Industrial Accident Reports." Saint-Denis: BARPI/DGPR. 🔗
  9. U.S. OSHA. 2024. "OSHA Accident Investigation Reports." Washington, DC: Occupational Safety and Health Administration. 🔗
  10. Urben, Peter G., ed. 2017. Bretherick's Handbook of Reactive Chemical Hazards. 8th ed. Oxford: Elsevier. ISBN 978-0-08-100971-2.
📚 科学文献概览 — CAS 7782-44-7MolGod_LITHUB_MAIN
⭐ 关键发现（科学文献） 18 出版物
🏆 CAS 7782-44-7 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
  1. #1
    Lun Zhang, Jiahui Li, Liang Zong et al. (2016) · Oxidative Medicine and Cellular Longevity
    重要性： 128次引用 · 综述 · open access
    SCORE 10.38 综述 引用次数： 128 Open Access DOI ↗
  2. #2
    et al. (2024) · Smart Molecules
    重要性： 近期（2024） · open access
    SCORE 10.18 机制 引用次数： 5 Open Access DOI ↗ PubMed ↗
  3. #3
    et al. (2024) · Nature Communications
    重要性： 近期（2024） · open access
    SCORE 9.76 机制 引用次数： 7 Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2026) · Advanced Science
    重要性： 近期（2026） · open access
    SCORE 9.55 工业 引用次数： 1 Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2025) · Nature Communications
    重要性： 近期（2025） · open access
    SCORE 9.28 机制 引用次数： 2 Open Access DOI ↗ PubMed ↗
  6. #6
    et al. (2025) · Angewandte Chemie International Edition
    重要性： 近期（2025） · open access
    SCORE 8.75 机制 引用次数： 1 Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2025) · Nature Communications
    重要性： 近期（2025） · open access
    SCORE 7.95 机制 引用次数： 1 Open Access DOI ↗ PubMed ↗
  8. #8
    Wonjin Jeon, Ji-Yeon Park, Deog-Keun Kim (2026) · Energy Conversion and Management: X
    重要性： 近期（2026） · open access
    SCORE 7.85 机制 Open Access DOI ↗
  9. #9
    et al. (2026) · ChemSusChem
    重要性： 近期（2026） · open access
    SCORE 7.05 机制 Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2025) · Discover Nano
    重要性： 近期（2025） · open access
    SCORE 7.05 机制 Open Access DOI ↗ PubMed ↗
  11. #11
    Vladimir Pomogaev; Daniil Lukyanov; Elena Solovyeva (2025) · Molecules
    重要性： 近期（2025） · open access
    SCORE 6.25 机制 Open Access DOI ↗ PubMed ↗
  12. #12
    Jieling Song; Kaiyue Cai; Rongfu Huang (2026) · Water Research
    重要性： 近期（2026）
    SCORE 5.7 机制 引用次数： 1 DOI ↗ PubMed ↗
  13. #13
    et al. (2026) · Chemistry – A European Journal
    重要性： 近期（2026）
    SCORE 5.6 机制 DOI ↗ PubMed ↗
  14. #14
    et al. (2026) · Physical Chemistry Chemical Physics
    重要性： 近期（2026）
    SCORE 4.8 药理学 DOI ↗ PubMed ↗
  15. #15
    et al. (2026) · Angewandte Chemie International Edition
    重要性： 近期（2026）
    SCORE 4.8 机制 DOI ↗ PubMed ↗
  16. #16
    Fischer MO (2026) · British journal of anaesthesia
    重要性： 必引文献（经典） · 近期（2026） · 综述
    SCORE 4 综述 MUST-CITE DOI ↗
  17. #17
    Brooks SE; Dammann CEL; Dammann O (2026) · Early human development
    重要性： 必引文献（经典） · 近期（2026） · 综述
    SCORE 4 综述 MUST-CITE DOI ↗
  18. #18
    et al. (2026) · Organic & Biomolecular Chemistry
    重要性： 近期（2026）
    SCORE 4 机制 DOI ↗ PubMed ↗
📐 HPLC峰对称性计算器（USP Tf / As）

根据峰半宽计算USP拖尾因子（Tf）和不对称度（As）。输入在峰高5%或10%处测量的a（左半宽）和b（右半宽）。

📚 参考文献（芝加哥作者-日期格式）
  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 ↗]
📊 分辨率和塔板数计算器（Rs, N, H）

计算一对HPLC峰的分辨率Rs、理论塔板数N和HETP（H）。输入保留时间、峰宽（在50%或基线处）和色谱柱长度。

📚 参考文献（芝加哥作者-日期格式）
  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.
🧪 系统适用性——实时计算器（USP <621>）

输入5-6次进样的数据（峰面积、保留时间、拖尾因子、塔板数）——计算器将计算%RSD和平均值，并检查是否符合USP <621>。您可以粘贴CSV（逗号分隔）或编辑单个值。

📚 参考文献（芝加哥作者-日期格式）
  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.
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🔗 HTML iframe代码 （最简单——随处可用）

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📚 参考文献（综合书目，芝加哥作者-日期格式） 127 条目

以上折叠面板中针对CAS号7782-44-7引用的所有科学来源。格式： 《芝加哥格式手册》第17版，作者-日期系统.

🗄️ 科学数据库

  1. NIST. n.d. 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.
  2. AIST. n.d. 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/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. 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.
  5. U.S. EPA. n.d. CompTox Chemicals Dashboard: CAS 7782-44-7. Research Triangle Park, NC: U.S. Environmental Protection Agency. https://comptox.epa.gov/dashboard/chemical/details/DTXSID2037681.

📐 标准/指南

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  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.

📖 书籍

  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.

📄 科学文章（同行评审）

  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.

🌐 网站

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
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