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: 1683438
• EC Number: 206-876-2
• MDL number: MFCD00000288
• UNSPSC Code: 12352100
• PubChem Substance ID: 24859616
• NACRES: NA.22

Properties

• grade: NMR grade
• 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.)
• 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. 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.

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.

Safety Information

• Pictograms: GHS02
• Signal Word: Danger
• Hazard Statements: H225
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 50.0 °F - closed cup
• Flash Point(C): 10 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves