3,5-Difluorobenzyl bromide

HCID 518896CAS 141776-91-2

기본 정보

표준 SMILES: Fc1cc(F)cc(CBr)c1
InChIKey: KVSVNRFSKRFPIL-UHFFFAOYSA-N
분자식: C7H5BrF2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.9542687

이름 및 식별자

우선 이름: 3,5-Difluorobenzyl bromide
IUPAC: 1-(bromomethyl)-3,5-difluorobenzene
영어명: 3,5-Difluorobenzyl bromide
분자식: C7H5BrF2
분자량: 207.02

이름 및 동의어

3,5-Difluorobenzyl bromide141776-91-2DTXSID40333844RefChem:91517DTXCID50284934627-819-1KVSVNRFSKRFPIL-UHFFFAOYSA-N1-(Bromomethyl)-3,5-difluorobenzene3,5-difluorobenzylbromideBenzene, 1-(bromomethyl)-3,5-difluoro-MFCD00010304alpha-Bromo-3,5-difluorotoluene

이름 더 보기

5-Fluoro-2-formylphenylboronic acid2-Formyl-5-(trifluoromethoxy)phenylboronic acidCAS:141776-91-23,5-Bifluorobenzyl bromide3,5-DIFLROROBENZYL BROMIDEα-bromo-3,5-difluorotolueneà-bromo-3,5-difluorotoluene3,5-Difluorobenzylbromide98%

5-(bromomethyl)-1,3-difluorobenzene1-(bromomethyl)-3,5-difluoro-benzene3,5-difluorobenzyl-bromide3,5-difluoro benzyl bromidea-Bromo-3,5-difluorotoluene?-Bromo-3,5-difluorotolueneSCHEMBL120092SCHEMBL5487052

데이터베이스 식별자

CAS: 141776-91-2
PubChem CID: 518896
DTXSID: DTXSID40333844
EC Number: 627-819-1
Nikkaji: J1.212.498H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 97.8

물리화학적 성질

끓는 점: 65 °C4.5 · 65 °C4.5 mm Hg(lit.)
밀도: 1.6 g/mL · 1.6 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.521(lit.)
인화점: 179 °F · 179 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Orange to Green
Specific Gravity: 1.62 · 1.62
BRN: 7422062 · 7422062
InChI: InChI=1S/C7H5BrF2/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKey: KVSVNRFSKRFPIL-UHFFFAOYSA-N
SMILES: C1(CBr)=CC(F)=CC(F)=C1
NIST: 3 · 3,5-Difluorobenzyl bromide(141776-91-2)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory.