2-Butenoyl chloride

HCID 79080CAS 10487-71-5

基本情報

標準SMILES: CC=CC(=O)Cl
InChIKey: RJUIDDKTATZJFE-UHFFFAOYSA-N
分子式: C4H5ClO
平均分子量: 104.53 g/mol
単同位体質量: 104.0028925

名称と識別子

優先名称: 2-Butenoyl chloride
IUPAC: but-2-enoyl chloride

名称と別名

2-Butenoyl chloride10487-71-5DTXSID2065096RefChem:1062656DTXCID4032904234-010-3Butenoyl chloridebut-2-enoyl chlorideE-Crotonoyl chlorideCrotonic Acid Chloride; 2-Butenoyl Chloride; beta-Methylacryloyl Chloridemethylacrylchloridemethylacryl chloride

名称をさらに表示

rac-Crotonoyl Chloride3-methylacryloyl chloride3-methyl-acryloyl chloride140242-43-9SCHEMBL245656AKOS028108515DB-013442DB-040570

データベース識別子

CAS: 10487-71-5
PubChem CID: 79080
DTXSID: DTXSID2065096
EC Number: 234-010-3

物性

構造計算による物性

XLogP: 1.6
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 75

安全と法規制

GHS分類

GHS Classification · 5 件

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.