디메틸벤질클로라이드

3,4-Dimethylbenzyl chloride

HCID 66018CAS 102-46-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(CCl)cc1C
InChIKey: UBQRAAXAHIKWRI-UHFFFAOYSA-N
분자식: C9H11Cl
평균 분자량: 154.63 g/mol
단동위원소 질량: 154.05492803

이름 및 식별자

우선 이름: 3,4-Dimethylbenzyl chloride
IUPAC: 4-(chloromethyl)-1,2-dimethylbenzene
현지명: 디메틸벤질클로라이드
영어명: 3,4-Dimethylbenzyl chloride
분자식: C9H11Cl
분자량: 154.64

이름 및 동의어

3,4-Dimethylbenzyl chloride102-46-5Benzene, 4-(chloromethyl)-1,2-dimethyl-EINECS 203-032-5NSC 62669DTXSID4059251RefChem:91214DTXCID7032680UBQRAAXAHIKWRI-UHFFFAOYSA-N4-(Chloromethyl)-1,2-dimethylbenzeneMFCD00000910Benzene, 1-(chloromethyl)-3,4-dimethyl-

이름 더 보기

3,4-다이메틸벤질클로라이드디메틸벤질클로라이드3,4-다이메틸벤질 클로라이드Esperox 570Lupersol 575AKOS BBS-00003954(contains isoMer)3,4-Dimethylbenzyl c4-CHLOROMETHYL-O-XYLENE3,4-Dimethylbenzyl chloride 70%3,4-DiMethylbenzyl Chloride 1-CHLOROMETHYL-3,4-DIMETHYLBENZENE

4-(Chloromethyl)-1,2-DiMethyl-BenzeneNSC-626694-(Chloromethyl)-o-xylene1-chloromethyl-3,4-dimethylbenzeneNSC626691-(Chloromethyl)-3,4-dimethylbenzene3,4-dimethyl benzyl chlorideSCHEMBL540384

데이터베이스 식별자

CAS: 102-46-5
PubChem CID: 66018
DTXSID: DTXSID4059251
UNII: A77HY5M734
EC Number: 203-032-5
Nikkaji: J31.725J

물성

구조 계산 물성

XLogP: 3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 101

물리화학적 성질

녹는점: -43.35 °C · -43.35°C (estimate)
끓는 점: 116 · 116-117 °C24 mm Hg(lit.)
밀도: 1.056 g/mL · 1.056 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.54(lit.)
인화점: 205 °F · 205 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색~담황색 투명
NIST: 4 · Benzene, 4-(chloromethyl)-1,2-dimethyl-(102-46-5)
EPA: 4 · Benzene, 4-(chloromethyl)-1,2-dimethyl- (102-46-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.