2-(4-Chlorophenyl)-3-methylbutanoyl chloride

HCID 4178001

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基本情報

CAS: 51631-50-6
標準SMILES: CC(C)C(C(=O)Cl)c1ccc(Cl)cc1
InChIKey: BWPYAVCZZUTOBY-UHFFFAOYSA-N
分子式: C11H12Cl2O
平均分子量: 231.11 g/mol
単同位体質量: 230.02652036

名称と識別子

優先名称: 2-(4-Chlorophenyl)-3-methylbutanoyl chloride
IUPAC: 2-(4-chlorophenyl)-3-methylbutanoyl chloride
英語名: Isopropyl(4-chlorophenyl)acetyl chloride
分子式: C11H12Cl2O
分子量: 231.12

名称と別名

51631-50-63-Methyl-2-(4-chlorophenyl)butyryl chloride2-(4-chlorophenyl)-3-methylbutanoyl chlorideIsopropyl(4-chlorophenyl)acetyl chloride2-(4-Chlorophenyl)-3-methylbutyryl chloride2-(4-chlorophenyl)-3-methyl-butanoyl ChlorideMFCD030939522-(4-Chlorophenyl)isovaleryl chlorideSCHEMBL1780649DTXSID20400326AKOS0158907802-(4-chlorophenyl)-isovaleryl chloride

名称をさらに表示

CL0112-(4-CHLOROPHENYL)-3-METHYLBUTYRYL2-(4-CHLOROPHENYL)-3-METHYLBUTYL CHLORID3-methyl-2-(4-chlorophenyl)butanoyl chloride2-(4-CHLOROPHENYL)-3-METHYLBUTYL CHLORIDE, 96%

BS-22424DB-0520002-(4-chlorophenyl)-3-methylbutanoylchloride2-isopropyl-2-p-chlorophenyl acetyl chloridealpha-isopropyl-4-chlorophenylacetyl chlorideD97794alpha-isoproyl-4-chlorophenyl-acetic acid chlorideF818637

データベース識別子

CAS: 51631-50-6
PubChem CID: 4178001
DTXSID: DTXSID20400326
EC Number: 629-037-6
Nikkaji: J38.921H

物性

構造計算による物性

XLogP: 4.4
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: 3
重原子数: 14
形式電荷: 0
複雑度: 195

物理化学的性質

沸点: 124 · 124-130°C (3 Torr)
比重(密度): 1.171 g/mL · 1.171 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.526(lit.)
闪点: 230 °F · >230 °F

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.