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

HCID 4178001

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 51631-50-6
표준 SMILES: CC(C)C(C(=O)Cl)c1ccc(Cl)cc1
InChIKey: BWPYAVCZZUTOBY-UHFFFAOYSA-N
분자식: C11H12Cl2O
평균 분자량: 231.11 g/mol
단동위원소 질량: 230.02652036

이름 및 식별자

우선 이름: 2-(4-Chlorophenyl)-3-methylbutanoyl chloride
IUPAC: 2-(4-chlorophenyl)-3-methylbutanoyl chloride
영어명: Isopropyl(4-chlorophenyl)acetyl chloride
분자식: C11H12Cl2O
분자량: 231.12

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 195

물리화학적 성질

끓는 점: 124 · 124-130°C (3 Torr)
밀도: 1.171 g/mL · 1.171 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 230 °F · >230 °F

안전 및 규제

GHS 분류

GHS Classification · 4건

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.