193666

Chloropentafluorobenzene

99%

• Linear Formula: ClC₆F₅
• CAS Number: 344-07-0
• Molecular Weight: 202.51
• Beilstein: 1819389
• EC Number: 206-450-6
• MDL number: MFCD00000534
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851603
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.424 (lit.)
• bp: 122-123 °C/750 mmHg (lit.)
• density: 1.568 g/mL at 25 °C (lit.)
• functional group: chloro; fluoro
• SMILES string: Fc1c(F)c(F)c(Cl)c(F)c1F
• InChI: 1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChI key: KGCDGLXSBHJAHZ-UHFFFAOYSA-N

Description

General description

Reaction between chloropentafluorobenzene and strong N-bases in polar aprotic solvents and in the presence of water has been investigated. Chloropentafluorobenzene on reaction with ammonia yields 4-chloro-2,3,5,6-tetrafluoroaniline and 2-chloro-3,4,5,6-tetrafluoroaniline.

Application

Chloropentafluorobenzene has been used in the preparation of:

• 1,2-difluoro-1,2-bis-(pentafluorophenyl)dichlorane via fluorination with elemental fluorine at 128°C
• 5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at −78°C

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H331
• Precautionary Statements: P261 - P271 - P304 + P340 + P311 - P403 + P233 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Inhalation
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 2
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves