HRID648467
uspto-grants-1988_04
作为反应物
uspto-grants-1988_04 · 10.6084/m9.figshare.5104873.v1 · US04735951
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CC(C)C(Cl)C(=O)Cl
- InChIKey
- AJCRZNJYNFAQAC-UHFFFAOYSA-N
- 分子式
- C5H8Cl2O
- 平均分子量
- 155.02 g/mol
- 单同位素质量
- 153.9952203
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 90
GHS
GHS 分类
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
Hazard Classes and Categories
Flam. Liq. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 3 (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
2-chloro-3-methylbutanoyl chlorideRefChem:468723834-981-935383-59-6Butanoyl chloride, 2-chloro-3-methyl-2-ChlorisovalerylchloridSCHEMBL49706852-chloro-3-methylbutanoylchlorideDTXSID40481930AJCRZNJYNFAQAC-UHFFFAOYSA-N2-chloro-3-methyl butanoyl chloride2-chloro-3-methyl-butanoyl chlorideCS-0343653EN300-269660
REACTIONS