1-Bromo-4-chloro-2-fluorobenzene (HCID 137275)

이름 및 식별자

우선 이름: 1-Bromo-4-chloro-2-fluorobenzene
IUPAC: 1-bromo-4-chloro-2-fluorobenzene
영어명: 1-Bromo-4-chloro-2-fluorobenzene
분자식: C6H3BrClF
분자량: 209.44

이름 및 동의어

1-Bromo-4-chloro-2-fluorobenzene1996-29-8DTXSID00173743RefChem:75122DTXCID9096234642-588-7FPNVMCMDWZNTEU-UHFFFAOYSA-N4-chloro-2-fluorobromobenzeneBenzene, 1-bromo-4-chloro-2-fluoro-2-bromo-5-chlorofluorobenzeneMFCD000797082-fluoro-4-chlorobromobenzene

이름 더 보기

1-Bromo-4-chloro-2-f2-Fluoro-4-chloro broMo1-Bromo-4-chloro-2-fluorob1-Bromo-4-chloro-2-fluorobe2-fluoro-4-chlorobroMobezene4-CHLORO-2-FLUORO BROMOBENZENE3-fluoro-4-bromo-chlorobenzene2-fluoro-4-chloro-fluorobenzene

1-Bromo-4-chloro-2-fluoro-benzene1-bromo-2-fluoro-4-chlorobenzene2-bromo-5-chloro-1-fluorobenzene2-bromo-5-chlorofluorbenzeneSCHEMBL118511SCHEMBL7556156CHEMBL2263227SCHEMBL27657919

데이터베이스 식별자

CAS: 1996-29-8
PubChem CID: 137275
DTXSID: DTXSID00173743
ChEMBL: CHEMBL2263227
EC Number: 642-588-7
Nikkaji: J1.512.791K

물성

구조 계산 물성

XLogP: 3.3
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: 99.1

물리화학적 성질

끓는 점: 91 · 91-92 °C/20 mmHg (lit.)
밀도: 1.678 g/mL · 1.678 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.556(lit.)
인화점: 198 °F · 198 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.678 · 1.678
색상: 무색~담황색 투명
수용성: 불용성
BRN: 2081083 · 2081083
InChI: InChI=1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey: FPNVMCMDWZNTEU-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(Cl)C=C1F

화학적 성질

CLEAR COLORLESS TO PALE YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.7% (1 of 13) of reports.

Warning

H315 (92.3%): 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 13 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (92.3%)

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Bromo-4-chloro-2-fluorobenzene may be used in the preparation of benzonorbornadiene derivative. It may also be used as a starting material in the multi-step synthesis of AZD3264, an IKK2 (inhibitor of nuclear factor κ-B kinase-2) inhibitor.

일반 설명1-Bromo-4-chloro-2-fluorobenzene is a polyhalo substituted benzene. It undergoes Suzuki coupling with 2-cyanoarylboronic esters to form the corresponding biphenyls. These biphenyls are the precursors for synthesizing 6-substituted phenanthridines. The enthalpy of vaporization at boiling point (467.15K) of 1-bromo-4-chloro-2-fluorobenzene is 40.737kjoule/mol.