CAS 83781-95-7 2-(Bromomethyl)-1-chloro-3-methoxybenzene (HCID 22327443)

기본 정보

CAS: 83781-95-7
표준 SMILES: COc1cccc(Cl)c1CBr
InChIKey: UBHMKGCZRSUSPG-UHFFFAOYSA-N
분자식: C8H8BrClO
평균 분자량: 235.5 g/mol
단동위원소 질량: 233.94471

이름 및 식별자

우선 이름: 2-(Bromomethyl)-1-chloro-3-methoxybenzene
IUPAC: 2-(bromomethyl)-1-chloro-3-methoxybenzene
현지명: 2-(브로모메틸)-1-클로로-3-메톡시벤젠
영어명: 2-(bromomethyl)-1-chloro-3-methoxybenzene
분자식: C8H8BrClO
분자량: 235.51

이름 및 동의어

2-(bromomethyl)-1-chloro-3-methoxybenzene83781-95-72-Chloro-6-methoxybenzyl bromideMFCD18393578Benzene, 2-(bromomethyl)-1-chloro-3-methoxy-SCHEMBL695060SCHEMBL24465842-chloro-6-methoxy-benzylbromideDTXSID50624851UBHMKGCZRSUSPG-UHFFFAOYSA-NIDA78195AKOS017552270

이름 더 보기

2-(브로모메틸)-1-클로로-3-메톡시벤젠

BS-52356DA-278172-(bromomethyl)-1-chloro-3-methoxy-benzene2-(Bromomethyl)-3-chlorophenyl methyl etherE74324F8474792-(Bromomethyl)-1-chloro-3-methoxybenzene, stab. with Cu+HQ+CaCO3

데이터베이스 식별자

CAS: 83781-95-7
PubChem CID: 22327443
DTXSID: DTXSID50624851
EC Number: 173-941-9

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 121

물리화학적 성질

끓는 점: 262.7 · 262.7±25.0 °C(Predicted)
밀도: 1.52 · 1.520±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.