uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05244889
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C=[N+]=[N-]
- InChIKey
- YVPJCJLMRRTDMQ-UHFFFAOYSA-N
- 分子式
- C4H6N2O2
- 平均分子量
- 114.1 g/mol
- 单同位素质量
- 114.04292744
COMPUTED
结构计算性质
- XLogP
- 0.7
- 极性表面积
- 28.3 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 126
PROPERTIES
实验与物化性质
Density
1.085 @25 °C
Physical Description
Yellow liquid with a pungent odor; [Merck Index] Light to dark yellow liquid; [Sigma-Aldrich MSDS]
GHS
GHS分类
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Acetic acid, diazo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Highly volatile and explosive; [Merck Index] May explode on heating; An irritant; May cause nervous system disturbances; Possible carcinogen and mutagen; Targets the liver and pancreas; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See Diazodinitrophenol.
Hazard Classes and Categories
Flam. Liq. 3 (100%);Acute Tox. 4 (100%)
SAFETY
安全与防护
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
TOXICITY
毒理信息
Adverse Effects
Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
REGULATORY
法规信息
Regulatory Information
Acetic acid, diazo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
ALIASES
名称与别名
REACTIONS
参与反应
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