uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653089B2
查看IDENTITY
结构与身份
- 标准SMILES
- c1cnoc1
- InChIKey
- CTAPFRYPJLPFDF-UHFFFAOYSA-N
- 分子式
- C3H3NO
- 平均分子量
- 69.06 g/mol
- 单同位素质量
- 69.02146372
COMPUTED
结构计算性质
- XLogP
- 0.1
- 极性表面积
- 26 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 5
- 形式电荷
- 0
- 复杂度
- 30
PROPERTIES
实验与物化性质
Vapor Pressure
45.5 [mmHg]
Physical Description
Clear light brown liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index
590;590
GHS
GHS分类
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H314 (69.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (68.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 151 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
Isoxazole: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
See 3-Amino-5-methylisoxazole.
Hazard Classes and Categories
Flam. Liq. 2 (100%);Skin Corr. 1B (69.5%);Eye Dam. 1 (68.9%)
REGULATORY
法规信息
Regulatory Information
Isoxazole: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Isoxazole: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
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