2-Bromo-1,4-difluorobenzene

HCID 67862CAS 399-94-0

기본 정보

표준 SMILES: Fc1ccc(F)c(Br)c1
InChIKey: XCRCSPKQEDMVBO-UHFFFAOYSA-N
분자식: C6H3BrF2
평균 분자량: 192.99 g/mol
단동위원소 질량: 191.93861864

이름 및 식별자

우선 이름: 2-Bromo-1,4-difluorobenzene
IUPAC: 2-bromo-1,4-difluorobenzene
현지명: 1-브로모-2,5-디플로로벤젠
영어명: 1-Bromo-2,5-difluorobenzene
분자식: C6H3BrF2
분자량: 192.99

이름 및 동의어

2-Bromo-1,4-difluorobenzeneDTXSID50192949EINECS 206-920-0NSC 10250RefChem:465820DTXCID40115440206-920-01-Bromo-2,5-difluorobenzene399-94-02,5-DifluorobromobenzeneMFCD00000345Benzene, 2-bromo-1,4-difluoro-

이름 더 보기

1-브로모-2,5-디플로로벤젠1-브로모-2,5-다이플루오로벤젠2-Bromo-1,4-difL1-Bromo-2,5-difluoro2-Brom-1,4-difluorbenzol1,4-Difluoro-2-bromobenzene2,5-Difluorobromobenzene 98%1-Bromo-2,5-difluorobenzene98%

2-bromo-1,4-difluoro-benzene2,5-difluoro-1-bromobenzene2-Bromo-1,4-difluorobenzene, 98%NSC-10250Z299596112BCP18574NSC10250FT-0607445

데이터베이스 식별자

CAS: 399-94-0
PubChem CID: 67862
DTXSID: DTXSID50192949
UNII: U82UU94PVP
EC Number: 206-920-0
Nikkaji: J149.704I

물성

구조 계산 물성

XLogP: 3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 31 °C · −31 °C(lit.)
끓는 점: 58 · 58-59 °C20 mm Hg(lit.)
밀도: 1.708 g/mL · 1.708 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.508(lit.)
인화점: 149 °F · 149 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
Specific Gravity: 1.708 · 1.708
색상: Colorless to Light yellow to Light orange
수용성: 불용성
BRN: 1680893 · 1680893
InChI: InChI=1S/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey: XCRCSPKQEDMVBO-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(F)C=C1Br
NIST: 2 · Benzene, 2-bromo-1,4-difluoro-(399-94-0)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98%): 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 49 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 (98%)

안전 데이터

wgk: 3
ridadr: UN 2922
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi,F,Xn
safety_code: 26-36/37/39-2637/39-37/39
위험 등급: IRRITANT, FLAMMABLE
위험 참고 사항: Flammable
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-Bromo-1,4-difluorobenzene has been used in the preparation of 1,4-difluoroanthraquinone, a precursor to ametantrone.

일반 설명Lithiation of 2-bromo-1,4-difluorobenzene in the presence of lithium diisopropylamide (LDA) in THF-hexane, butyllithium in diethyl ether-hexane and butyllithium in THF-hexane has been reported.