4-(Bromomethyl)-1,2-difluorobenzene

HCID 581436

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 85118-01-0
표준 SMILES: Fc1ccc(CBr)cc1F
InChIKey: JJIFTOPVKWDHJI-UHFFFAOYSA-N
분자식: C7H5BrF2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.9542687

이름 및 식별자

우선 이름: 4-(Bromomethyl)-1,2-difluorobenzene
IUPAC: 4-(bromomethyl)-1,2-difluorobenzene
영어명: 3,4-Difluorobenzyl bromide
분자식: C7H5BrF2
분자량: 207.02

이름 및 동의어

3,4-Difluorobenzyl bromide85118-01-04-(Bromomethyl)-1,2-difluorobenzeneEINECS 285-653-1DTXSID70234239RefChem:515300DTXCID20156730285-653-13,4-difluorobenzylbromidealpha-Bromo-3,4-difluorotolueneBenzene, 4-(bromomethyl)-1,2-difluoro-4-(bromomethyl)-1,2-difluoro-benzene

이름 더 보기

TIMTEC-BB SBB0065633,4-Difluorobenzyl ba-Bromo-3,4-difluorotoluene3,4-Difluoro Bromine Benzylà-bromo-3,4-difluorotolueneα-bromo-3,4-difluorotoluene3,4-Difluorobenzylbromide98%3,4-DifluorobenzylBromide>

4-bromomethyl-1,2-difluorobenzeneMFCD000098893,4-difluoro-benzylbromide3,4-di-fluorobenzyl bromide3,4-difluoro-benzyl bromide4-(Bromomethyl)-1,2-difluorobenzene #3, 4-difluorobenzyl bromide1-bromomethyl-3

데이터베이스 식별자

CAS: 85118-01-0
PubChem CID: 581436
DTXSID: DTXSID70234239
EC Number: 285-653-1
Nikkaji: J307.993G

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: 108

물리화학적 성질

끓는 점: 59 · 59-61°C 3,5mm
밀도: 1.618 g/mL · 1.618 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 175 °F · 175 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Red to Green
Specific Gravity: 1.63 · 1.63
BRN: 742578 · 742578
InChI: 1S/C7H5BrF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey: JJIFTOPVKWDHJI-UHFFFAOYSA-N
SMILES: Fc1ccc(CBr)cc1F

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.