3-Bromo-5-fluorobenzotrifluoride

HCID 2736323CAS 130723-13-6

기본 정보

표준 SMILES: Fc1cc(Br)cc(C(F)(F)F)c1
InChIKey: LIGBGEJPUQBLTG-UHFFFAOYSA-N
분자식: C7H3BrF4
평균 분자량: 243 g/mol
단동위원소 질량: 241.93542508

이름 및 식별자

우선 이름: 3-Bromo-5-fluorobenzotrifluoride
IUPAC: 1-bromo-3-fluoro-5-(trifluoromethyl)benzene
영어명: 3-Bromo-5-fluorobenzotrifluoride
분자식: C7H3BrF4
분자량: 243

이름 및 동의어

3-Bromo-5-fluorobenzotrifluoride130723-13-6DTXSID50371277RefChem:93205DTXCID60322311642-494-6LIGBGEJPUQBLTG-UHFFFAOYSA-N1-Bromo-3-fluoro-5-(trifluoromethyl)benzeneMFCD00042498Benzene, 1-bromo-3-fluoro-5-(trifluoromethyl)-3-Bromo-5-flurobenzotrifluoride3-fluoro-5-trifluoromethylbromobenzene

이름 더 보기

1-BROMO-3-(TR3-Bromo-5-fluorobenz5-bromo-3-fluorobenzonitrile5-fluoro-3-bromobenzoTrifluoride3-bromo-5-fluorotrifluorotoluene3-fluoro-5-bromo-benzotrifluoride3-Bromo-5-fluorobenzotrifluoride97%

3-bromo-5-fluoro-trifluoromethylbenzene3-Fluoro-5-trifluoromethyl-bromobenzeneSY0183531-bromo-3-fluoro-5-(trifluoromethyl)-benzeneEN300-375071-bromo-3-fluoro-5-trifluoromethyl benzene3-Bromo-alpha,alpha,alpha,5-tetrafluorotolueneFT-0615177

데이터베이스 식별자

CAS: 130723-13-6
PubChem CID: 2736323
DTXSID: DTXSID50371277
EC Number: 642-494-6

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 138 · 138-139 °C (lit.)
밀도: 1.511 g/mL · 1.511 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.456(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체 또는 저융점 고체
색상: 무색~황색
InChI: InChI=1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChIKey: LIGBGEJPUQBLTG-UHFFFAOYSA-N
SMILES: C1(Br)=CC(C(F)(F)F)=CC(F)=C1

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (11.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 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 CategoriesFlam. Liq. 3 (11.1%)

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 23-24/25-36-26
위험 등급: IRRITANT
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

응용 분야 · 1건

용도3-Bromo-5-fluorobenzotrifluoride (1-Bromo-3-fluoro-5-(trifluoromethyl)benzene) may be used in the preparation of:6-(3-fluoro-5-trifluoromethylphenyl)-hex-5-ynoic acid methyl ester (E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-5-methoxycarbonyl-pent-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester (E)-3-[4-(3-fluoro-5-trifluoromethylphenyl)-4-(3,4-dimethoxyphenyl)-but-3-enyl]-oxazolidin-2-one(E)-5-[1-(3-fluoro-5-trifluoromethylphenyl)-4-(2-oxo-oxazolidin-3-yl)-but-1-enyl]-2-methoxy-3-methylbenzoic acid methyl ester