1-Bromo-2-(bromomethyl)-4-fluorobenzene

HCID 517972CAS 112399-50-5

기본 정보

표준 SMILES: Fc1ccc(Br)c(CBr)c1
InChIKey: CZLWYKAZAVYQIK-UHFFFAOYSA-N
분자식: C7H5Br2F
평균 분자량: 267.92 g/mol
단동위원소 질량: 265.87420258

이름 및 식별자

우선 이름: 1-Bromo-2-(bromomethyl)-4-fluorobenzene
IUPAC: 1-bromo-2-(bromomethyl)-4-fluorobenzene
영어명: 2-Bromo-5-fluorobenzyl bromide
분자식: C7H5Br2F
분자량: 267.92

이름 및 동의어

1-Bromo-2-(bromomethyl)-4-fluorobenzeneRefChem:430220642-591-32-Bromo-5-fluorobenzyl bromide112399-50-55-Fluoro-2-bromobenzyl bromide2-Bromo-5-fluorobenzylbromideMFCD00042187Trelagliptin Impurity 49BENZENE, 1-BROMO-2-(BROMOMETHYL)-4-FLUORO-1-bromo-2-(bromomethyl)-4-fluoro-benzeneSCHEMBL156831

이름 더 보기

Trelagliptin Impurity 602-Bromo-5-fluoroben bromide2-BroMo-5-fluorobenl broMideBromofluorobenzylbromide 25---2-Bromo-5-fluorobenzylbromide95%2-Bromo-5-fluorobenzyl bromide 95%2-Bromo-5-fluorobenzyl Bromide >

SCHEMBL293748612-bromo-5-fluoro benzyl bromide2-bromo-5-fluoro-benzyl bromideDTXSID703337562-bromomethyl-4-fluorobromobenzeneSBB0709101-bromo-2-bromomethyl-4-fluorobenzeneAKOS009148363

데이터베이스 식별자

CAS: 112399-50-5
PubChem CID: 517972
DTXSID: DTXSID70333756
EC Number: 642-591-3
Nikkaji: J3.101.222H

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 34 · 34-35°C
끓는 점: 89 · 89-90°C 1mm
밀도: 1.92 g/ml · 1.92g/ml
굴절률: 1.59 · 1.59
인화점: 89 · 89-90°C/1mm
저장 조건: 2 · 2-8°C
물리적 상태: powder to lump
색상: 흰색에서 거의 흰색
수용성: 물에 섞기가 어렵습니다.
BRN: 4177658 · 4177658
InChI: InChI=1S/C7H5Br2F/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
InChIKey: CZLWYKAZAVYQIK-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(F)C=C1CBr
NIST: 2 · 2-Bromo-5-fluorobenzyl bromide(112399-50-5)

화학적 성질

White to almost white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 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 CategoriesMet. Corr. 1 (12.5%)

안전 데이터

ridadr: 1759
HS 번호: 29039990
risk_code: 34-36-52-22
hazard_code: C,Xn
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory

화학 및 산업

응용 분야

용도It is an important pharmaceutical intermediate. Alkylation of the β-amino ester 1a with 2-bromo-5-fluorobenzyl bromide yields Benzazepines as a white solid after silica gel chromatography.