2-플루오로-4-시아노벤질브로마이드

4-(Bromomethyl)-3-fluorobenzonitrile

HCID 2783149

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 105942-09-4
표준 SMILES: N#Cc1ccc(CBr)c(F)c1
InChIKey: ZESZAIOGACKOMB-UHFFFAOYSA-N
분자식: C8H5BrFN
평균 분자량: 214.03 g/mol
단동위원소 질량: 212.95893948

이름 및 식별자

우선 이름: 4-(Bromomethyl)-3-fluorobenzonitrile
IUPAC: 4-(bromomethyl)-3-fluorobenzonitrile
현지명: 2-플루오로-4-시아노벤질브로마이드
영어명: 2-Fluoro-4-cyanobenzyl bromide
분자식: C8H5BrFN
분자량: 214.03

이름 및 동의어

105942-09-44-(Bromomethyl)-3-fluorobenzonitrileDTXSID30382462RefChem:288617DTXCID60333487675-411-74-Cyano-2-fluorobenzyl Bromide2-fluoro-4-cyanobenzyl bromide4-bromomethyl-3-fluorobenzonitrileMFCD073683414-(bromomethyl)-3-fluoro-benzonitrile4-(Bromomethyl)-3-fluoroben

이름 더 보기

2-플루오로-4-시아노벤질브로마이드4-Cyano-2-fluorbenzylbromid2-Fluoro-4-cyanobenzy1 bromide2-FLUORO-4-CYANO-BENZYLBROMIDE4-Cyano-2-fluorobenzylbromide97%BENZONITRILE, 4-(BROMOMETHYL)-3-FLUORO-4-(Bromomethyl)-3-fluorobenzonitrile 97%4-(Bromomethyl)-3-fluorobenzonitrile >

4-cyano-2-fluoro-benzylbromide4-cyano-2-fluoro benzyl bromide4-bromomethyl-3-fluoro-benzonitrileCS-W001261B3204EN300-24736F2163-0116Z199533566

데이터베이스 식별자

CAS: 105942-09-4
PubChem CID: 2783149
DTXSID: DTXSID30382462
EC Number: 675-411-7
Nikkaji: J1.614.909H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 77 °C · 77 °C
끓는 점: 276.4 · 276.4±30.0 °C(Predicted)
밀도: 1.59 · 1.59±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 고체
색상: 회백색
InChI: InChI=1S/C8H5BrFN/c9-4-7-2-1-6(5-11)3-8(7)10/h1-3H,4H2
InChIKey: ZESZAIOGACKOMB-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(CBr)C(F)=C1

화학적 성질

White to yellow fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.