2-Butenoyl chloride 分子结构式
HCID79080

2-Butenoyl chloride

but-2-enoyl chloride

C4H5ClO104.53 g/molCAS 10487-71-5

IDENTITY

结构与身份

标准SMILES
CC=CC(=O)Cl
InChIKey
RJUIDDKTATZJFE-UHFFFAOYSA-N
分子式
C4H5ClO
平均分子量
104.53 g/mol
单同位素质量
104.0028925

COMPUTED

结构计算性质

已同步
XLogP
1.6
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
1
重原子
6
形式电荷
0
复杂度
75

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (94.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 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

来源:PubChem
Regulatory Information

Chemical: 2-Butenoyl chloride

Crotonoyl chloride (mixture of cis- and trans isomers): Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information

IMAP assessments - 2-Butenoyl chloride: Human health tier I assessment

Hazard Classes and Categories

Flam. Liq. 3 (100%);Skin Corr. 1B (100%);Eye Dam. 1 (94.1%);STOT SE 3 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 2-Butenoyl chloride

Crotonoyl chloride (mixture of cis- and trans isomers): 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

2-Butenoyl chloride: ACTIVE

ALIASES

名称与别名

共 21 条
2-Butenoyl chloride10487-71-5DTXSID2065096RefChem:1062656DTXCID4032904234-010-3Butenoyl chloridebut-2-enoyl chlorideE-Crotonoyl chlorideCrotonic Acid Chloride; 2-Butenoyl Chloride; beta-Methylacryloyl Chloridemethylacrylchloridemethylacryl chloriderac-Crotonoyl Chloride3-methylacryloyl chloride3-methyl-acryloyl chloride140242-43-9SCHEMBL245656AKOS028108515DB-013442DB-040570

REACTIONS

参与反应

41
HRID 103752 反应方程式

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

查看
HRID 104628 反应方程式

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

查看
HRID 109767 反应方程式

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

查看
HRID 137026 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 155904 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 156609 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 160154 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 178932 反应方程式

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

查看