Pentafluorobenzene, 98+%

Description

CAS: 363-72-4 | C6HF5 | 168.07 g/mol

Pentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte. New reaction conditions are described that enable the direct arylation of pentafluorobenzene with sterically encumbered aryl bromides and aryl chlorides. Bis (pentafluoropheny1) methane and tris (pentafluoropheny1) methane were prepared in 77 and 92% yields, respectively, by a Friedel-Crafts reaction of pentafluorobenzene with methylene chloride and chloroform using aluminum chloride as the Lewis acid.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Pentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte. New reaction conditions are described that enable the direct arylation of pentafluorobenzene with sterically encumbered aryl bromides and aryl chlorides. Bis (pentafluoropheny1) methane and tris (pentafluoropheny1) methane were prepared in 77 and 92% yields, respectively, by a Friedel-Crafts reaction of pentafluorobenzene with methylene chloride and chloroform using aluminum chloride as the Lewis acid.

Solubility
Insoluble in water.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 363-72-4
• Molecular Formula: C6HF5
• Molecular Weight (g/mol): 168.07
• MDL Number: MFCD00000286
• InChI Key: WACNXHCZHTVBJM-UHFFFAOYSA-N
• Synonym: pentafluorobenzene, benzene, pentafluoro, unii-ih36lu53xs, benzene, 1,2,3,4,5-pentafluoro, 2,3,4,5,6-pentafluorobenzene, ih36lu53xs, 1,2,3,4,5-pentafluoro-benzene, pentafluorophenyl, benzenepentafluoride, pubchem2310
• PubChem CID: 9696
• IUPAC Name: 1,2,3,4,5-pentafluorobenzene
• SMILES: FC1=CC(F)=C(F)C(F)=C1F

• Melting Point: -48°C
• Density: 1.518
• Boiling Point: 84°C to 85°C
• Flash Point: 13°C (55°F)
• Refractive Index: 1.391
• Quantity: 100 g
• UN Number: UN1993
• Beilstein: 1911549
• Solubility Information: Insoluble in water.
• Formula Weight: 168.06
• Percent Purity: ≥98%
• Chemical Name or Material: Pentafluorobenzene

Safety and Handling

Hazard Category	H225-H302-H315-H319-H335
Hazard Statement	GHS H Statement H225-H302 Highly flammable liquid and vapour. Harmful if swallowed.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P270-P271-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P312-P330-P332+P313-P363-P370+P378q-P501c
DOTInformation	Hazard Class: 3; Packaging Group: II
EINECSNumber	206-658-7
RTECSNumber	DA6651600
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only