헥사플로로벤젠

Hexafluorobenzene

HCID 9805CAS 392-56-3

기본 정보

표준 SMILES
Fc1c(F)c(F)c(F)c(F)c1F
InChIKey
ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
분자식
C6.F6
평균 분자량
186.05 g/mol
단동위원소 질량
185.99041932

개요

Hexafluorobenzene is a member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine. It has a role as a NMR solvent. It is a member of fluorobenzenes and a fluorocarbon.

이름 및 식별자

우선 이름
Hexafluorobenzene
IUPAC
1,2,3,4,5,6-hexafluorobenzene
현지명
헥사플로로벤젠
영어명
hexafluorobenzene
분자식
C6F6
분자량
186.05

이름 및 동의어

HEXAFLUOROBENZENE392-56-3Perfluorobenzene1,2,3,4,5,6-HexafluorobenzeneCP 28CMC18T611KNSC-21628DTXSID5043924CHEBI:38589RefChem:786088DTXCID3023924206-876-2
이름 더 보기
헥사플로로벤젠헥사플루오로벤젠CP281,2,3,4,5,6-hexafluoro-benzenehexafluoro-benzenHexaflurorobenzenebenzene,hexafluoro-Perfluorobenzene 99%
Benzene, hexafluoro-C6F6Hexafluorbenzolhexafluoro benzeneMFCD00000288NSC 21628HEXAFLUOROBENZENE [MI]AKOS000120141

데이터베이스 식별자

CAS
392-56-3
PubChem CID
9805
DTXSID
DTXSID5043924
ChEBI
CHEBI:38589
UNII
CMC18T611K
EC Number
206-876-2
Nikkaji
J37.679E

물성

구조 계산 물성

XLogP
2.5
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
0
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.22
Density1.61 @ 20°C
Vapor Pressure84.5 [mmHg]
Physical DescriptionLiquid; [Hawley] Colorless clear liquid; Melting point = 3.7-41 deg C; [MSDSonline]

물리화학적 성질

녹는점
3.7 · 3.7-4.1 °C (lit.)
끓는 점
80 · 80-82 °C (lit.)
밀도
1.612 g/mL · 1.612 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.377(lit.)
인화점
50 °F · 50 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzene, hexafluoro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline] See Hexachlorobenzene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

50 [mg/m3]

550 [mg/m3]

3300 [mg/m3]

독성 정보

Toxicity DataLC50 (mice) = 95,000 mg/m3/2h

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DA3050000
ridadr
UN 1993 3/PG 2
독성
guinea pig,LCLo,inhalation,11800ppm/4H (11800ppm),BEHAVIORAL: ATAXIASENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYELUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0571186,
HS 번호
29039990

화학 및 산업

용도 및 제조

UsesUsed as solvent and for chemical synthesis; [Merck Index] Used as solvent in NMR spectroscopy; [Hawley]
General Manufacturing InformationBenzene, 1,2,3,4,5,6-hexafluoro-: ACTIVE
응용 분야 · 3건

개요Hexafluorobenzene, HFB, C6F6, or perfluorobenzene is an organic, aromatic compound. In this derivative of benzene all hydrogen atoms have been replaced by fluorine atoms. The technical uses of the compound are limited, although it is recommended as a solvent in a number of photochemical reactions. In the laboratory hexafluorobenzene is used as standard in fluorine-19 NMR spectroscopy, solvent and standard in carbon-13 NMR, solvent in proton NMR, solvent when studying some parts in the infrared and solvent in ultraviolet–visible spectroscopy, as hexafluorobenzene itself hardly shows any absorbance in the UV region.

용도Hexafluorobenzene is used as a solvent in photochemical reactions. It is also used as a reference compound in fluorine-19 NMR, carbon-13 NMR. It is used as a solvent in proton NMR, IR spectrum and UV-spectra. It is used as anticorrosive, antifriction and anti-tumor agents. Further, it is used as a reference molecule to investigate tissue oxygenation in vivo studies. It forms series of 1:1 complexes with naphthalene, anthracene, phenanthrene, pyrene and triphenylene.

일반 설명Hexafluorobenzene was repoted to be a sensitive 19F NMR indicator of tumor oxygenation. Rotational Raman spectra of hexafluorobenzenehas been studied under high resolution using a single mode argon laser as the exciting source. Hexafluorobenzene in the gas phase reacts spontaneously with lithium amalgam, to give a solid and intimate mixture of lithium fluoride and elemental polymeric carbon with a small amount of superstoichiometric lithium. Hexafluorobenzene forms series of 1:1 complexes with naphthalene, anthracene,phenanthrene, pyrene and triphenylene.

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]
上海淖沁生物科技有限公司400-1125320 13774248860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

추가 설명

정의ChEBI: A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine.

관련 반응

25건

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