HRID30689
uspto-grants-2008_09
作为反应物
uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423159B2
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CCOC(=O)CCC(=O)Cl
- InChIKey
- IXZFDJXHLQQSGQ-UHFFFAOYSA-N
- 分子式
- C6H9ClO3
- 平均分子量
- 164.59 g/mol
- 单同位素质量
- 164.0240218
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 43.4 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 133
GHS
GHS 分类
GHS Classification
Danger
H302 (11.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 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
Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413
Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (11.5%)；Skin Corr. 1C (100%)
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 05-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19413
Butanoic acid, 4-chloro-4-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Butanoic acid, 4-chloro-4-oxo-, ethyl ester: ACTIVE
ALIASES
名称与别名
14794-31-1Ethyl 4-chloro-4-oxobutanoateEthyl succinyl chlorideButanoic acid, 4-chloro-4-oxo-, ethyl esterEthyl succinoyl chloridePropionic acid, 3-(chloroformyl)-, ethyl ester3-Carboethoxypropionyl chlorideEINECS 238-855-9DTXSID4065818.beta.-Carbethoxypropionyl chloride.beta.-Ethoxycarbonylpropionyl chlorideRefChem:122120beta-Carbethoxypropionyl chlorideDTXCID5034806beta-Ethoxycarbonylpropionyl chlorideIXZFDJXHLQQSGQ-UHFFFAOYSA-NEthyl 4-chloro-4-oxobutyrateEthyl 3-(chloroformyl)propionate3-ethoxycarbonylpropionyl chlorideMFCD00000751
REACTIONS
参与反应
HRID89738
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID92103
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID112579
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID195672
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID199285
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID302400
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物HRID405072
uspto-grants-2014_06
作为反应物
uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748415B2
查看条件与参与物