1-브로모-2,4,5-트리플로로벤젠

1-Bromo-2,4,5-trifluorobenzene

HCID 67597CAS 327-52-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1cc(F)c(Br)cc1F
InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N
분자식: C6H2BrF3
평균 분자량: 210.98 g/mol
단동위원소 질량: 209.92919682

개요

1-Bromo-2,4,5-trifluorobenzene is an organofluorine compound.

이름 및 식별자

우선 이름: 1-Bromo-2,4,5-trifluorobenzene
IUPAC: 1-bromo-2,4,5-trifluorobenzene
현지명: 1-브로모-2,4,5-트리플로로벤젠
영어명: 1-Bromo-2,4,5-trifluorobenzene
분자식: C6H2BrF3
분자량: 210.98

이름 및 동의어

1-Bromo-2,4,5-trifluorobenzene327-52-65848WZ4MBLDTXSID30186366RefChem:1055022DTXCID40108857206-318-82,4,5-trifluorobromobenzeneBenzene, 1-bromo-2,4,5-trifluoro-MFCD000003065-bromo-1,2,4-trifluorobenzene2-Bromo-1,4,5-trifluorobenzene

이름 더 보기

1-브로모-2,4,5-트리플로로벤젠1-브로모-2,4,5-트라이플루오로벤젠2,4,5 bromobenzene1-Bromo-2,4,5-trifL1-Bromo-2,4,5-triflu2,4,5-TRIFLUOROBENZOBROMIDE2,4,5-Trifluorophenyl bromide1,2,4-Trifluoro-5-bromobenzene

1-Bromo-2,4,5-trifluoro-benzeneEINECS 206-318-8UNII-5848WZ4MBLSCHEMBL270218SCHEMBL3454902,4,5-Trifluoro bromo benzeneSCHEMBL293652131-bromo-2,4,5-triluorobenzene

데이터베이스 식별자

CAS: 327-52-6
PubChem CID: 67597
DTXSID: DTXSID30186366
ChEBI: CHEBI:189196
UNII: 5848WZ4MBL
EC Number: 206-318-8
Nikkaji: J193.747B

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 19 °C · −19 °C(lit.)
끓는 점: 144 °C · 144 °C(lit.)
밀도: 1.802 g/mL · 1.802 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.485(lit.)
인화점: 132 °F · 132 °F
저장 조건: 2 · 2-8°C
용해도: 물: 불용성
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.81 · 1.81
수용성: 불용성
BRN: 1636588 · 1636588
InChI: InChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=C(F)C=C1F
NIST: 1 · Benzene, 1-bromo-2,4,5-trifluoro-(327-52-6)

화학적 성질

clear slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29039990
risk_code: 36/37/38-10
hazard_code: Xi,F
safety_code: 26-36/37/39-37/39-16
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도1-Bromo-2,4,5-trifluorobenzene is the intermediate of liquid crystals. The derivatives of this compound can be used as intermediates for the synthesis of qunolone antibacterial. It is employed in the synthesis of 3-ethenyl, 3-ethynyl, 3-aryl, and 3-cyclopropyl-2, 4, 5-trifluorobenzoic acids from 1-bromo-2, 4, 5-trifluorobenzene and 2, 4, 5-trifluoro-3-hydroxybenzoic acid.

일반 설명1-Bromo-2,4,5-trifluorobenzene undergoes Br-Mg-exchange reaction with i-PrMgBr in THF to yield organomagnesium compound.