1-Bromo-2,4-dimethoxybenzene

HCID 87266CAS 17715-69-4

기본 정보

표준 SMILES: COc1ccc(Br)c(OC)c1
InChIKey: NIUZVSQOXJIHBL-UHFFFAOYSA-N
분자식: C8H9BrO2
평균 분자량: 217.06 g/mol
단동위원소 질량: 215.97859163

이름 및 식별자

우선 이름: 1-Bromo-2,4-dimethoxybenzene
IUPAC: 1-bromo-2,4-dimethoxybenzene
영어명: 1-Bromo-2,4-dimethoxybenzene
분자식: C8H9BrO2
분자량: 217.06

이름 및 동의어

1-Bromo-2,4-dimethoxybenzene17715-69-42,4-DimethoxybromobenzeneBenzene, 1-bromo-2,4-dimethoxy-1,3-Dimethoxy-4-bromobenzene4-Bromoresorcinol dimethyl ether2,4-Dimethoxyphenyl bromide4-Bromo-1,3-dimethoxybenzene2,4-dimethoxy-1-bromobenzeneQU54UE5GSENIUZVSQOXJIHBL-UHFFFAOYSA-DTXSID50170262

이름 더 보기

1-Bromo-2,4-dimethox3-Methoxy-4-bromoanisole2,4-diMethoxylbroMophenol1,3-Dmethoxy-4-bromobenzene

EINECS 241-717-0RefChem:75043DTXCID9092753241-717-0InChI=1/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3NIUZVSQOXJIHBL-UHFFFAOYSA-NMFCD000098441-Bromo-2,4-dimethoxy-benzene

데이터베이스 식별자

CAS: 17715-69-4
PubChem CID: 87266
DTXSID: DTXSID50170262
UNII: QU54UE5GSE
EC Number: 241-717-0
Nikkaji: J236.216C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

녹는점: 25 · 25-26 °C(lit.)
끓는 점: 153 · 153-155 °C18 mm Hg(lit.)
밀도: 1.507 g/mL · 1.507 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.572(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.507 · 1.507
색상: 약간 노란색으로 맑음
수용성: 불용성
BRN: 1867593 · 1867593
InChI: InChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey: NIUZVSQOXJIHBL-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(OC)C=C1OC
NIST: 1 · Benzene, 1-bromo-2,4-dimethoxy-(17715-69-4)

화학적 성질

clearslightlyyellowliqui

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 46 reports by companies from 6 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
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-Bromo-2,4-dimethoxybenzene was used in the synthesis of 2,3-disubstituted benzo[b]furans. It was also used in the synthesis of dendrimer Si[CH2CH2Si(Me)2-2,4-(MeO)2-C6H3]4.