5-Bromo-2-chlorotoluene

HCID 609899CAS 54932-72-8

기본 정보

표준 SMILES: Cc1cc(Br)ccc1Cl
InChIKey: OZFQMHJKAODEON-UHFFFAOYSA-N
분자식: C7H6BrCl
평균 분자량: 205.48 g/mol
단동위원소 질량: 203.93413997

이름 및 식별자

우선 이름: 5-Bromo-2-chlorotoluene
IUPAC: 4-bromo-1-chloro-2-methylbenzene
영어명: 5-BROMO-2-CHLOROTOLUENE
분자식: C7H6BrCl
분자량: 205.48

이름 및 동의어

5-Bromo-2-chlorotoluene54932-72-8DTXSID30346140RefChem:533155DTXCID20297213611-212-34-Bromo-1-chloro-2-methylbenzeneMFCD00018503Benzene, 4-bromo-1-chloro-2-methyl-SCHEMBL264070OZFQMHJKAODEON-UHFFFAOYSA-4-bromo-1-chloro-2-methyl-benzene

이름 더 보기

2-chloro-bromotoluene5-BROMO-3-CHLOROTOLUENE5-Bromo-2-chlorotoluene99%5-Bromo-2-chlorotoluene >5-Bromo-2-chlorotoluene 98%5-Bromo-2-chlorotoluene,98%5-Bromo-2-chlorotoluene, 97+%

4-Bromo-1-chloro-2-methylbenzene #AKOS015834792PS-8100B30022-Chloro-5-bromotolueneAM61596A196495-Bromo-2-chlorotoluene, 98

데이터베이스 식별자

CAS: 54932-72-8
PubChem CID: 609899
DTXSID: DTXSID30346140
EC Number: 611-212-3
Nikkaji: J31.744F

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

끓는 점: 98 · 98-100 °C/25 mmHg (lit.)
밀도: 1.55 g/mL · 1.55 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.575(lit.)
인화점: 96 °C · 96°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 투명한 무색~연한 주황색-노란색
Specific Gravity: 1.55 · 1.550
BRN: 3234896 · 3234896
InChI: 1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey: OZFQMHJKAODEON-UHFFFAOYSA-N
SMILES: Cc1cc(Br)ccc1Cl

화학적 성질

clear colorless to light orange-yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (10%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (10%)

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39-24/25
위험 등급: IRRITANT
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

응용 분야 · 1건

용도5-Bromo-2-chlorotoluene serves as a precursor for synthesizing 5-bromo-2-chlorobenzyl bromide via bromination with N-bromosuccinimide and benzoyl peroxide[3]. It reacts with n-butyllithium followed by anhydroecgonine oxadiazole to prepare 3β-(4-chloro-3-methylphenyl)-2β-(3-methyl-1,2,4-oxadiazol-5-yl)tropane[4].