3-클로로-2-플루오로벤질브로마이드

1-(Bromomethyl)-3-chloro-2-fluorobenzene

HCID 522827

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 85070-47-9
표준 SMILES: Fc1c(Cl)cccc1CBr
InChIKey: HYILLTADABKYHO-UHFFFAOYSA-N
분자식: C7H5BrClF
평균 분자량: 223.47 g/mol
단동위원소 질량: 221.92471816

이름 및 식별자

우선 이름: 1-(Bromomethyl)-3-chloro-2-fluorobenzene
IUPAC: 1-(bromomethyl)-3-chloro-2-fluorobenzene
현지명: 3-클로로-2-플루오로벤질브로마이드
영어명: 3-Chloro-2-fluorobenzyl bromide
분자식: C7H5BrClF
분자량: 223.47

이름 및 동의어

1-(Bromomethyl)-3-chloro-2-fluorobenzeneRefChem:427275670-915-33-Chloro-2-fluorobenzyl bromide85070-47-93-chloro-2-fluorobenzylbromideMFCD000425032-fluoro-3-chlorobenzyl bromide1-(bromomethyl)-3-chloro-2-fluoro-benzene1-chloro-3-bromomethyl-2-fluoro-benzene3-chloro-2-fluoro benzyl bromideBENZENE, 1-(BROMOMETHYL)-3-CHLORO-2-FLUORO-

이름 더 보기

3-클로로-2-플루오로벤질브로마이드3-choro-2-fluorobenzylbromide-bromo-3-chloro-2-fluorotolueneà-bromo-3-chloro-2-fluorotolueneA-BROMO-2-FLUORO-3-CHLOROTOLUENE3-Chloro-2-fluorobenzylbromide97%3-Chloro-2-fluorobenzyl bromide 97%3-Chloro-2-fluorobenzyl Bromide >

1-(Bromomethyl)-3-chloro-2-fluoro-benzene; 1-(Bromomethyl)-3-chloro-2-fluorobenzene;SCHEMBL489698SCHEMBL294667622-Fluoro-3-chloro-benzylbromideDTXSID303350792-fluoro-3-chloro-benzyl bromide3-chloro-2-fluoro-benzyl bromideSBB096538

데이터베이스 식별자

CAS: 85070-47-9
PubChem CID: 522827
DTXSID: DTXSID30335079
EC Number: 670-915-3
Nikkaji: J307.991K

물성

구조 계산 물성

XLogP: 3.2
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: 110

물리화학적 성질

녹는점: 35 °C · <35°C
끓는 점: 126 °C · 126 °C
밀도: 1.654 · 1.654±0.06 g/cm3(Predicted)
굴절률: 1.569 · 1.569
인화점: 125 · 125-126°C/15mm
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름, DMSO, 메탄올 에 용해됨
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C7H5BrClF/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey: AQQPRCFCKCXWGZ-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=CC(Cl)=C1F
NIST: 3 · 3-Chloro-2-fluorobenzyl bromide(85070-47-9)

화학적 성질

Pale Yellow Low Melting Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P203, P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, 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.