1-브로모-2,5-디메톡시벤젠

Benzene, 2-bromo-1,4-dimethoxy-

HCID 91353CAS 25245-34-5

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름: Benzene, 2-bromo-1,4-dimethoxy-
IUPAC: 2-bromo-1,4-dimethoxybenzene
현지명: 1-브로모-2,5-디메톡시벤젠
영어명: 1-Bromo-2,5-dimethoxybenzene
분자식: C8H9BrO2
분자량: 217.06

이름 및 동의어

2-Bromo-1,4-dimethoxybenzeneBenzene, 2-bromo-1,4-dimethoxy-EINECS 246-756-7DTXSID8067070DWCGNRKFLRLWCJ-UHFFFAOYSA-NSC 159052RefChem:562562DTXCID4037249246-756-7InChI=1/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H31-Bromo-2,5-dimethoxybenzene25245-34-5

이름 더 보기

1-브로모-2,5-디메톡시벤젠AKOS 3321-Bromo-2,5-Dimethoxyb2,5-diMethoxylbroMophenol2,5-Dimethoxyphenyl bromide1,4-Dimethoxy-2-bromobenzene5-Bromo-1,4-dimethoxybenzene

2,5-dimethoxybromobenzeneMFCD00008355NSC1590522-bromo-4-methoxyanisoleSCHEMBL258418SCHEMBL11358289SCHEMBL21838216SCHEMBL29634588

데이터베이스 식별자

CAS: 25245-34-5
PubChem CID: 91353
DTXSID: DTXSID8067070
EC Number: 246-756-7
Nikkaji: J236.103E

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

끓는 점: 130 · 130-131 °C/10 mmHg (lit.)
밀도: 1.445 g/mL · 1.445 g/mL at 25 °C (lit.)
굴절률: 1.569 · 1.569-1.571
인화점: 110 °C · >110°C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.445 · 1.445
수용성: 물에 불용성.
BRN: 2441884 · 2441884
InChI: InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
InChIKey: DWCGNRKFLRLWCJ-UHFFFAOYSA-N
SMILES: C1(OC)=CC=C(OC)C=C1Br
NIST: 1 · 1-Bromo-2,5-dimethoxybenzene(25245-34-5)
EPA: 2 · Benzene, 2-bromo-1,4-dimethoxy- (25245-34-5)

화학적 성질

clear colorless to yellowish 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 75 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 2-bromo-1,4-dimethoxy-: INACTIVE

응용 분야 · 1건

용도1-Bromo-2,5-dimethoxybenzene has been used in preparation of:S-(-)-2-[N-(trifluoroacetyl)amino]-1-(2,5-dimethoxy-4- bromophenyl)-1-propanone1,4-bis{4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne and 1,4-bis{2,5-dimethoxy-4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne1-bromo-4-iodo-2,5-dimethoxybenzene