1-Bromo-3-methoxy-5-methylbenzene

HCID 10679554CAS 29578-83-4

기본 정보

표준 SMILES: COc1cc(C)cc(Br)c1
InChIKey: AOEVRCZZWJWKPG-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 1-Bromo-3-methoxy-5-methylbenzene
IUPAC: 1-bromo-3-methoxy-5-methylbenzene
영어명: 1-Bromo-3-methoxy-5-methylbenzene
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

1-BROMO-3-METHOXY-5-METHYLBENZENE29578-83-4DTXSID40443391RefChem:228512DTXCID80394212676-359-83-Bromo-5-methylanisole3-Bromo-5-methoxytolueneBenzene, 1-bromo-3-methoxy-5-methyl-MFCD080619165-BROMO-3-METHOXYTOLUENE1-bromo-3-methoxy-5-methyl-benzene

이름 더 보기

3-Bromo-5-methoxytoluene >3-Methyl-5-methoxyphenyl bromide1-Bromo-5-methoxy-3-methylbenzene1-BROMO-3-METHOXY-5-METHYLBENZENE ISO 9001：2015 REACH1-Bromo-3-methoxy-5-methylbenzene 3-bromo-5-methoxytoluene

3-methoxy-5-bromotolueneSCHEMBL3880603-Methoxy-5-methylbromobenzeneSCHEMBL1636132SCHEMBL3397500SCHEMBL29427076AOEVRCZZWJWKPG-UHFFFAOYSA-NCL8953

데이터베이스 식별자

CAS: 29578-83-4
PubChem CID: 10679554
DTXSID: DTXSID40443391
EC Number: 676-359-8

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 52 ℃ · 52℃
끓는 점: 228 ℃ · 228℃
밀도: 1.378 · 1.378
굴절률: 1.556 · 1.5560-1.5600
인화점: 103 ℃ · 103℃
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Red
InChI: InChI=1S/C8H9BrO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,1-2H3
InChIKey: AOEVRCZZWJWKPG-UHFFFAOYSA-N
SMILES: C1(Br)=CC(C)=CC(OC)=C1

화학적 성질

Colorless Oil

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.