HCID84648

Butanoic acid, 4-chloro-4-oxo-, ethyl ester

ethyl 4-chloro-4-oxobutanoate

C6H9ClO3164.59 g/molCAS 14794-31-1

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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

已同步

XLogP: 1.5
极性表面积: 43.4 Å²
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

来源：PubChem

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

来源：PubChem

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

来源：PubChem

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

来源：PubChem

General Manufacturing Information

Butanoic acid, 4-chloro-4-oxo-, ethyl ester: ACTIVE

ALIASES

名称与别名

共 48 条

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

48 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423159B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748415B2

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