2,3-디메톡시벤질염화물

1-(Chloromethyl)-2,3-dimethoxybenzene

HCID 2758394

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3893-01-4
표준 SMILES: COc1cccc(CCl)c1OC
InChIKey: MJRVJLUCLPUZER-UHFFFAOYSA-N
분자식: C9H11ClO2
평균 분자량: 186.63 g/mol
단동위원소 질량: 186.04475727

이름 및 식별자

우선 이름: 1-(Chloromethyl)-2,3-dimethoxybenzene
IUPAC: 1-(chloromethyl)-2,3-dimethoxybenzene
현지명: 2,3-디메톡시벤질염화물
영어명: 2,3-Dimethoxybenzyl chloride
분자식: C9H11ClO2
분자량: 186.64

이름 및 동의어

1-(chloromethyl)-2,3-dimethoxybenzeneRefChem:427455674-292-92,3-dimethoxybenzyl chloride3893-01-4MFCD01310812Benzene, 1-(chloromethyl)-2,3-dimethoxy-2, 3-dimethoxybenzyl chlorideSCHEMBL2500056SCHEMBL9811854DTXSID90374303MJRVJLUCLPUZER-UHFFFAOYSA-N

이름 더 보기

2,3-디메톡시벤질염화물Verapamil Impurity 22,3-Dimethoxybenzyl chloride, CAS 3893-01-42,3-DIMETHOXYBENZYL CHLORIDE (50% IN METHYLENE CHLORIDE)2,3-Dimethoxybenzyl chloride (50% by weight in methylene chloride)1-(Chloromethyl)-2,3-dimethoxybenzene, alpha-Chloro-2,3-dimethoxytoluene

3-chloromethyl-1,2-dimethoxybenzene1-chloromethyl-2,3-dimethoxy-benzeneAKOS0002623411-(chloromethyl)-2,3-dimethoxy-benzeneBS-28043DB-019768G78390EN300-1263303

데이터베이스 식별자

CAS: 3893-01-4
PubChem CID: 2758394
DTXSID: DTXSID90374303
EC Number: 674-292-9
Nikkaji: J1.157.287A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 69 · 69-70.5℃
끓는 점: 95 °C · 95°C 1mm
밀도: 1.13 · 1.130±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 89.3 · 89.3±18.4℃
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 액체
색상: Clear, colourless

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

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