1-(Bromomethyl)-2,3-difluoro-benzene

HCID 517984

노트 반응

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기본 정보

CAS: 113211-94-2
표준 SMILES: Fc1cccc(CBr)c1F
InChIKey: FTBSGSZZESQDBM-UHFFFAOYSA-N
분자식: C7H5BrF2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.9542687

이름 및 식별자

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

이름 및 동의어

benzene, 1-(bromomethyl)-2,3-difluoro-1-(Bromomethyl)-2,3-difluoro-benzeneRefChem:427204628-547-62,3-Difluorobenzyl bromide113211-94-21-(Bromomethyl)-2,3-difluorobenzenealpha-Bromo-2,3-difluorotoluenea-bromo-2,3-difluorotolueneMFCD000424882,3-difluoro-benzyl bromideSCHEMBL127091

이름 더 보기

CAS:113211-94-2TIMTEC-BB SBB0066812,3-Difluorophenyl bromideα-bromo-2,3-difluorotolueneà-bromo-2,3-difluorotoluene2,3-Difluorobenzylbromide98%2,3-DifluorobenzylBromide>2,3-Difluorobenzyl bromide 98%

2,3-Difluorobenzylbromide1-(Bromomethyl)-2,3-difluorobenzene #AM612692,3-difluorobenzyl-bromideSCHEMBL28190978DTXSID203337612,3-Difluorobenzyl bromide, 98%1-bromomethyl-2,3-difluoro-benzene

데이터베이스 식별자

CAS: 113211-94-2
PubChem CID: 517984
DTXSID: DTXSID20333761
EC Number: 628-547-6
Nikkaji: J1.240.619C

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: 190.5 · 190.5±25.0 °C(Predicted)
밀도: 1.628 g/mL · 1.628 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.528(lit.)
인화점: 194 °F · 194 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.628 · 1.628
BRN: 7089244 · 7089244
InChI: 1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
InChIKey: FTBSGSZZESQDBM-UHFFFAOYSA-N
SMILES: Fc1cccc(CBr)c1F
NIST: 2 · 2,3-Difluorobenzyl bromide(113211-94-2)

화학적 성질

clear colorless to light 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, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationBenzene, 1-(bromomethyl)-2,3-difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (100%)