326720

Hexafluorobenzene

≥99.5%, NMR grade

• Synonym(s): 1,2,3,4,5,6-Hexafluorobenzene, Perfluorobenzene
• Empirical Formula (Hill Notation): C₆F₆
• CAS Number: 392-56-3
• Molecular Weight: 186.05
• Beilstein/REAXYS Number: 1683438
• EC Number: 206-876-2
• MDL number: MFCD00000288
• UNSPSC Code: 12352100
• PubChem Substance ID: 24859616
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: ≥99.5%
• form: liquid
• technique(s): NMR: suitable
• refractive index: n20/D 1.377 (lit.)
• bp: 80-82 °C (lit.)
• mp: 3.7-4.1 °C (lit.)
• density: 1.612 g/mL at 25 °C (lit.)
• functional group: fluoro
• SMILES string: Fc1c(F)c(F)c(F)c(F)c1F
• InChI: 1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChI key: ZQBFAOFFOQMSGJ-UHFFFAOYSA-N

Description

General description

Hexafluorobenzene was repoted to be a sensitive ¹⁹F NMR indicator of tumor oxygenation.[1] Rotational Raman spectra of hexafluorobenzenehas been studied under high resolution using a single mode argon laser as the exciting source.[2] 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.[3] Hexafluorobenzene forms series of 1:1 complexes with naphthalene, anthracene,phenanthrene, pyrene and triphenylene.[4]

Application

Hexafluorobenzene can be used as a standard in ¹⁹Fluorine NMR (nuclear magnetic resonance) spectroscopy and also as a solvent in ¹³Carbon and ¹H NMR spectroscopy.[5][6][7][8]

Safety Information

• pictograms: GHS02
• signalword: Danger
• hcodes: H225
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 50.0 °F - closed cup
• flash_point_c: 10 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter