Bromopentafluorobenzene (HCID 9578)

이름 및 식별자

우선 이름: Bromopentafluorobenzene
IUPAC: 1-bromo-2,3,4,5,6-pentafluorobenzene
현지명: 브로모펜타플로로벤젠
영어명: Bromopentafluorobenzene
분자식: C6BrF5
분자량: 246.96

이름 및 동의어

BROMOPENTAFLUOROBENZENE1-Bromo-2,3,4,5,6-pentafluorobenzenePentafluorobromobenzeneBromoperfluorobenzeneBenzene, bromopentafluoro-Pentafluorophenyl bromidebenzene, 1-bromo-2,3,4,5,6-pentafluoro-DTXSID3047136UNII-S88219080SEINECS 206-449-0NSC 21630NSC-21630

이름 더 보기

브로모펜타플로로벤젠2,3,4,5,6-PENTAFLUOROBROMOBENZENE2,3,4,5,6-pentafluoro-1-bromobenzeneBromopentafLpentafluroanilineBromopentafluorobenzFivefluorine broMine

S88219080SDTXCID1027136Benzene, bromopentafluoroRefChem:121613Benzene, 1bromo2,3,4,5,6pentafluoro206-449-0InChI=1/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)XEKTVXADUPBFOA-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 344-04-7
PubChem CID: 9578
DTXSID: DTXSID3047136
ChEMBL: CHEMBL1231233
UNII: S88219080S
EC Number: 206-449-0
Nikkaji: J30B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 150

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionColorless liquid; [MSDSonline]

물리화학적 성질

녹는점: -31 °C · -31 °C (lit.)
끓는 점: 137 °C · 137 °C (lit.)
밀도: 1.981 g/mL · 1.981 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.449(lit.)
인화점: 190 °F · 190 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 투명한 무색에서 매우 희미한 색
Specific Gravity: 1.981 · 1.981
수용성: 물에 불용성.
BRN: 1819390 · 1819390
Henry's Law Constant: 2.1 · 2.1×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: XEKTVXADUPBFOA-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(Br)c(F)c1F
NIST: Benzene, bromopentafluoro-(344-04-7)
EPA: Bromopentafluorobenzene (344-04-7)

화학적 성질

Clear colorless to very faintly colored liquid

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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CY9040552
HS 번호: 29036990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
기존화학 물질: 2014-3-6147
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-bromo-2,3,4,5,6-pentafluoro-: ACTIVE

응용 분야

용도It is used as pharmaceutical intermediate. It is a Grignard reagent (with CuBr in dioxane) can introduce pentafluorophenyl groups.

상·하류 제품 정보

상류 원료

비스(펜타플루오로페닐)퍼디설파이드 1,4-Cyclohexadiene, 1-bromo-2,3,3,4,5,6,6-heptafluoro-2,5-Cyclohexadien-1-one, 2,3,4,4,6-pentafluoro-1,4-Cyclohexadiene, 1,2,3,3,4,6,6-heptafluoro-Trimethyl(pentafluorophenyl)silane 펜타플루오로벤조산 펜타플로로벤젠 헥사플로로벤젠

하류 제품

트리스(펜타플루오로페닐)붕화수소 O-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine hydrochloride 1,2,3,4-Tetrafluorobenzene 4-아미노노나플루로비페닐 4,4'-Dibromooctafluorobiphenyl 2,3,4,5,6-펜타플루오로페닐아세토니트릴 펜타플루오로벤질클로라이드 펜타플로로스티렌 1,1':3',1''-Terphenyl, 2,2',2'',3,3'',4,4',4'',5,5'',6,6',6''-tridecafluoro-5'-(2,3,4,5,6-pentafluorophenyl)-

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东德信精细化工有限公司18553366272

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