알파-브로모-2,6-디플루오로톨루엔

2-(Bromomethyl)-1,3-difluorobenzene

HCID 581435CAS 85118-00-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1cccc(F)c1CBr
InChIKey: LSXJPJGBWSZHTM-UHFFFAOYSA-N
분자식: C7H5BrF2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.9542687

이름 및 식별자

우선 이름: 2-(Bromomethyl)-1,3-difluorobenzene
IUPAC: 2-(bromomethyl)-1,3-difluorobenzene
현지명: 알파-브로모-2,6-디플루오로톨루엔
영어명: 2,6-Difluorobenzyl bromide
분자식: C7H5BrF2
분자량: 207.02

이름 및 동의어

2,6-Difluorobenzyl bromide85118-00-92-(Bromomethyl)-1,3-difluorobenzeneBenzene, 2-(bromomethyl)-1,3-difluoro-FNK4D2QCW3EINECS 285-652-6LSXJPJGBWSZHTM-UHFFFAOYSA-DTXSID10234238RefChem:459906DTXCID10156729285-652-6InChI=1/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

이름 더 보기

알파-브로모-2,6-디플루오로톨루엔알파-브로모-2,6-디플루오로톨루엔(ALPHA-BROMO-2,6-DIFLUOROTOLUENE)TIMTEC-BB SBB0065642,6-Difluorobenzyl bDifluorobenzylbroMid2，6-Diflurobenzylbromide2,6-difluorabenzyl broMideα-bromo-2,6-difluorotolueneà-bromo-2,6-difluorotolueneA-BROMO-2,6-DIFLUOROTOLUENE2,6-Difluorobenzylbromide98%

2,6-Difluorobenzylbromidealpha-Bromo-2,6-difluorotolueneMFCD000003292-(bromomethyl)-1,3-difluoro-benzene2-Bromomethyl-1,3-difluorobenzeneUNII-FNK4D2QCW32,6-diflourobenzyl bromide2,6-Difluoro-benzyl bromide

데이터베이스 식별자

CAS: 85118-00-9
PubChem CID: 581435
DTXSID: DTXSID10234238
UNII: FNK4D2QCW3
EC Number: 285-652-6
Nikkaji: J307.994E

물성

구조 계산 물성

XLogP: 2.6
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

녹는점: 52 · 52-55 °C(lit.)
끓는 점: 184.9 · 184.9±25.0 °C(Predicted)
밀도: 1 · 1,6 g/cm3
굴절률: 1.5256 · 1.5256 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 흰색에 가까운 밝은 베이지색
BRN: 2083943 · 2083943
InChI: InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: LSXJPJGBWSZHTM-UHFFFAOYSA-N
SMILES: C1(F)=CC=CC(F)=C1CBr

화학적 성질

white to light yellow crystal powder

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 56 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 15-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27902

Benzene, 2-(bromomethyl)-1,3-difluoro-: Does not have an individual approval but may be used under an appropriate group standard

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29039990
risk_code: 34-36
hazard_code: C
safety_code: 26-36/37/39-45-25-27
포장분류: III
위험 등급: 8
기존화학 물질: KE-03651
F 고인화성물질: 10-19-21
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도2,6-Difluorobenzyl bromide has been used:as reagent in alkylation of the quinazoline-2-thioxo-4-onein the synthesis of 1,3,5-triazine-2,4,6-trionesin the preparation of new classes of inhibitors of bovine viral diarrhea virus (as a surrogate virus for hepatitis C virus)