ヘキサフルオロベンゼン

Hexafluorobenzene

HCID 9805CAS 392-56-3

基本情報

標準SMILES
Fc1c(F)c(F)c(F)c(F)c1F
InChIKey
ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
分子式
C6.F6
平均分子量
186.05 g/mol
単同位体質量
185.99041932

概要

Hexafluorobenzene is a member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine.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

名称と識別子

優先名称
Hexafluorobenzene
IUPAC
1,2,3,4,5,6-hexafluorobenzene
現地名
ヘキサフルオロベンゼン
英語名
hexafluorobenzene
分子式
C6F6
分子量
186.05

名称と別名

HEXAFLUOROBENZENE392-56-3Perfluorobenzene1,2,3,4,5,6-HexafluorobenzeneCP 28CMC18T611KNSC-21628DTXSID5043924CHEBI:38589RefChem:786088DTXCID3023924206-876-2
名称をさらに表示
ヘキサフルオロベンゼンペルフルオロベンゼンヘキサフロロベンゼンパーフルオロベンゼンヘキサフルオロベンゼン, 99%ヘキサフルオロベンゼン, min. 99%CP281,2,3,4,5,6-hexafluoro-benzenehexafluoro-benzenHexaflurorobenzenebenzene,hexafluoro-Perfluorobenzene 99%
Benzene, hexafluoro-C6F6Hexafluorbenzolhexafluoro benzeneMFCD00000288NSC 21628HEXAFLUOROBENZENE [MI]AKOS000120141

データベース識別子

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

物性

構造計算による物性

XLogP
2.5
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
0
重原子数
12

実験および物理化学的性質

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]

物理化学的性質

融点
3.7 · 3.7-4.1 °C (lit.)
沸点
80 · 80-82 °C (lit.)
比重(密度)
1.612 g/mL · 1.612 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.377(lit.)
闪点
50 °F · 50 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

50 [mg/m3]

550 [mg/m3]

3300 [mg/m3]

毒性情報

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

安全データ

F
10
wgk
3
tsca
TSCA listed
rtecs
DA3050000
ridadr
UN 1993 3/PG 2
毒性
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,

化学と産業

用途と製造

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
応用分野 · 3 件

説明Hexafluorobenzene, 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.

使用Hexafluorobenzene 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.

一般的な説明Hexafluorobenzene 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.

調製方法 · 1 件

純化方法Main impurities are incompletely fluorinated benzenes. Purify it by standing in contact with oleum for 4hours at room temperature, repeating until the oleum does not become coloured. Wash it several times with water, then dry it with P2O5. Finally purify it by repeated fractional crystallisation. [Beilstein 5 III 523, 5 IV 640.]

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補足説明

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

関連反応

25 件

関連ノート

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