5-브로모-2-플로로톨루엔

5-Bromo-2-fluorotoluene

HCID 123527CAS 51437-00-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(Br)ccc1F
InChIKey: VXKYOKPNAXNAFU-UHFFFAOYSA-N
분자식: C7H6BrF
평균 분자량: 189.02 g/mol
단동위원소 질량: 187.96369051

이름 및 식별자

우선 이름: 5-Bromo-2-fluorotoluene
IUPAC: 4-bromo-1-fluoro-2-methylbenzene
현지명: 5-브로모-2-플로로톨루엔
영어명: 5-Bromo-2-fluorotoluene
분자식: C7H6BrF
분자량: 189.02

이름 및 동의어

5-Bromo-2-fluorotoluene51437-00-44-Bromo-1-fluoro-2-methylbenzeneEINECS 257-202-9DTXSID90199412RefChem:533225DTXCID20121903257-202-92-Fluoro-5-BromotolueneBenzene, 4-bromo-1-fluoro-2-methyl-MFCD000003434-bromo-1-fluoro-2-methyl-benzene

이름 더 보기

5-브로모-2-플로로톨루엔5-브로모-2-플루오로톨루엔5-Bromo-2-flurotoluene5-BROMO-2-FLUORTOLUENE5-Bromo-2-flourotoluene5-Bromo-2-fluorotoluene 97%5-Bromo-2-fluorotoluene,99%5-Bromo-2-fluorotoluene >5-Bromo-2-fluorotoluene,97%

5-Bromo-2-fluoro-tolueneSCHEMBL13470AC7936SY016326A75842-fluoro-5-bromo-tolueneSCHEMBL1418878SCHEMBL21550073

데이터베이스 식별자

CAS: 51437-00-4
PubChem CID: 123527
DTXSID: DTXSID90199412
EC Number: 257-202-9
Nikkaji: J261.722F

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

끓는 점: 94 · 94-95 °C (50 mmHg)
밀도: 1.486 g/mL · 1.486 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.529(lit.)
인화점: 165 °F · 165 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.486 · 1.486
색상: 무색의
수용성: 불용성
BRN: 2242693 · 2242693
InChI: InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey: VXKYOKPNAXNAFU-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(Br)C=C1C
NIST: 5 · 5-Bromo-2-fluorotoluene(51437-00-4)

화학적 성질

colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도5-Bromo-2-fluorotoluene is used in the preparation of 5-bromo-2-fluorobenzyl bromide via N-bromosuccinimide (NBS) bromination, required for the synthesis of crown bromofluorobenzene and 3-(4-fuoro-3-methylphenyl)acrylamide. It is also used as an intermediates of medicine.