3-Bromo-4-fluorotoluene

HCID 96745CAS 452-62-0

기본 정보

표준 SMILES: Cc1ccc(F)c(Br)c1
InChIKey: QLRKALMVPCQTMU-UHFFFAOYSA-N
분자식: C7H6BrF
평균 분자량: 189.02 g/mol
단동위원소 질량: 187.96369051

이름 및 식별자

우선 이름: 3-Bromo-4-fluorotoluene
IUPAC: 2-bromo-1-fluoro-4-methylbenzene
영어명: 3-Bromo-4-fluorotoluene
분자식: C7H6BrF
분자량: 189.02

이름 및 동의어

3-Bromo-4-fluorotoluene452-62-02-bromo-1-fluoro-4-methylbenzeneBenzene, 2-bromo-1-fluoro-4-methyl-SNF4C42NWZEINECS 207-201-4NSC-883132-fluoro-5-methylbromobenzeneDTXSID301964201-bromo-2-fluoro-5-methylbenzene5-METHYL-2-FLUOROBROMOBENZENENSC 88313

이름 더 보기

3-Bromo-4-fluorotolu3-Bromo-4-fluotoluene3-Bromo-4-flurotoluene3-Bromo-4-fluorotoluene,99%3-broMo -4-fluorine toluene3-Bromo-4-fluorotoluene >3-Bromo-4-fluorotoluene 99%

TOLUENE, 3-BROMO-4-FLUORO-2-FLUORO-5-METHYL-1-BROMOBENZENERefChem:498653DTXCID40118911207-201-42-bromo-1-fluoro-4-methyl-benzeneMFCD000408274-fluoro-3-bromotoluene

데이터베이스 식별자

CAS: 452-62-0
PubChem CID: 96745
DTXSID: DTXSID30196420
UNII: SNF4C42NWZ
EC Number: 207-201-4
Nikkaji: J196.149G

물성

구조 계산 물성

XLogP: 3.1
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: 169 °C/756 · 169 °C/756 mmHg (lit.)
밀도: 1.507 g/mL · 1.507 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.531(lit.)
인화점: 164 °F · 164 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.52 · 1.52
색상: 무색투명~연황색
BRN: 1680604 · 1680604
InChI: InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey: QLRKALMVPCQTMU-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(C)C=C1Br

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzene, 2-bromo-1-fluoro-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29039990
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

용도3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene.