4-Bromo-1-methoxy-2-methylbenzene

HCID 608315CAS 14804-31-0

기본 정보

표준 SMILES: COc1ccc(Br)cc1C
InChIKey: UDLRGQOHGYWLCS-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 4-Bromo-1-methoxy-2-methylbenzene
IUPAC: 4-bromo-1-methoxy-2-methylbenzene
영어명: 4-Bromo-1-methoxy-2-methylbenzene
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

4-Bromo-2-methylanisole14804-31-04-Bromo-1-methoxy-2-methylbenzeneUDLRGQOHGYWLCS-UHFFFAOYSA-DTXSID50345958RefChem:518983DTXCID20297031604-620-8InChI=1/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H35-Bromo-2-methoxytolueneBenzene, 4-bromo-1-methoxy-2-methyl-MFCD01321139

이름 더 보기

BromomethoxytolueneMethyl-4-bromoanisole2-METHYL-4-BROMOANISOLE2-Methoxy-5-bromotoluene4-Allyloxy BroMo Benzene4-BROMO-2-METHYLANISOLE 98%5-Bromo-2-methoxytoluene >5-BROMO-2-METHOXYTOLUENE 98+%

4-BROMO-1-METHOXY-2-METHYL-BENZENESCHEMBL811314-Bromo-2-methylanisole, 98%1-bromo-4-methoxy-3-methylbenzene4-Bromo-1-methoxy-2-methylbenzene #AKOS009159159DS-14595SY018966

데이터베이스 식별자

CAS: 14804-31-0
PubChem CID: 608315
DTXSID: DTXSID50345958
EC Number: 604-620-8
Nikkaji: J32.075G

물성

구조 계산 물성

XLogP: 3.5
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: 66 · 66-69 °C(lit.)
끓는 점: 124 · 124-125°C 25mm
밀도: 1.378 · 1.378±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 124 · 124-125°C/25mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
BRN: 208224 · 208224
InChI: 1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChIKey: UDLRGQOHGYWLCS-UHFFFAOYSA-N
SMILES: COc1ccc(Br)cc1C

화학적 성질

colorless to light yellow liquid

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29093090
hazard_code: Xi
safety_code: 24/25
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-Bromo-2-methylanisole may be used in the synthesis of 4-isopropyl-2-methylphenol and 4-methoxy-3-methylphenol.

일반 설명4-Bromo-2-methylanisole can be prepared by the bromination of o-methylanisole (2-methylanisole). It can also be prepared via reaction between 1-butyl-3-methylimidazolium tribromide [(Bmim)Br3] and an activated aromatic compound. It participates as a substrate for the a-arylation of sulphonamide in a study.