1-(브로모메틸)-2-메톡시벤젠

1-(Bromomethyl)-2-methoxybenzene

HCID 40308CAS 52289-93-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccccc1CBr
InChIKey: WAUNFWSVXRPCDQ-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 1-(Bromomethyl)-2-methoxybenzene
IUPAC: 1-(bromomethyl)-2-methoxybenzene
현지명: 1-(브로모메틸)-2-메톡시벤젠
영어명: 1-(bromomethyl)-2-methoxybenzene
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

1-(BROMOMETHYL)-2-METHOXYBENZENE52289-93-7DTXSID50200311RefChem:226193DTXCID501228022-methoxybenzylbromide2-Methoxybenzyl BromideBenzene, 1-(bromomethyl)-2-methoxy-MFCD097451281-(bromomethyl)-2-methoxy-benzene1-bromomethyl-2-methoxy-benzene2-(Bromomethyl)anisole

이름 더 보기

1-(브로모메틸)-2-메톡시벤젠1-(bromomethyl)-2-me2-Methoxy bromobenzylo-MethoxybenzylbromideO-(bromomethyl)anisole2-Methoxy benzyl bromideMonoMethoxybenzyl broMidealpha-Bromo-2-methoxytoluene2-Methoxy-1-(bromomethyl)benzene

Benzene,1-(bromomethyl)-2-methoxy-2-MethoxybenzylbromidSCHEMBL178042-Methoxybenzylbromide, 97%1-Bromomethyl-2-methoxybenzeneSCHEMBL28069112SCHEMBL29377714WAUNFWSVXRPCDQ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 52289-93-7
PubChem CID: 40308
DTXSID: DTXSID50200311
EC Number: 828-103-3
Nikkaji: J1.620.984H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

녹는점: 47 · 47-50℃
끓는 점: 228 ℃ · 228℃
밀도: 1.406 · 1.406
인화점: 90 ℃ · 90℃
저장 조건: -20 °C · Store at -20 °C
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C8H9BrO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
InChIKey: WAUNFWSVXRPCDQ-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC=C1OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.