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Merck
CN

193666

Chloropentafluorobenzene

99%

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About This Item

Linear Formula:
ClC6F5
CAS Number:
344-07-0
Molecular Weight:
202.51
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851603
EC Number:
206-450-6
Beilstein/REAXYS Number:
1819389
MDL number:
MFCD00000534
Assay:
99%
Form:
liquid

Key Documents

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InChI key

KGCDGLXSBHJAHZ-UHFFFAOYSA-N

InChI

1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

SMILES string

Fc1c(F)c(F)c(Cl)c(F)c1F

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

Quality Level

100

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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

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.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H331

Hazard Classifications

Acute Tox. 3 Inhalation

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

ppe

Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6774
STBK7533
STBJ2173
STBG7567
STBG3066V

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5-Chloro-1-(difluorochloro)-2, 3, 4, 5, 6, 6-hexafluoro-1, 3-cyclohexadiene: Synthesis and characterization.
Obaleye JA and Sams LC.
Journal of Fluorine Chemistry, 23(5), 479-479 (1983)
E R Kinkead et al.
Toxicology and industrial health, 7(4), 309-318 (1991-07-01)
Chloropentafluorobenzene (CPFB) has been identified as a candidate simulant for nonpersistent chemical warfare agents. Acute toxicity studies have shown that CPFB has limited adverse effects on laboratory animals. A 21-day inhalation study of rats and mice to 2.5, 0.8, and
Błazej Gierczyk et al.
The Journal of organic chemistry, 68(8), 3139-3144 (2003-04-12)
Products of reactions between chloropentafluorobenzene and strong N-bases (DBN, DBU, TBD, and MTBD) in polar aprotic solvents and in the presence of water were isolated and identified by analytical and spectroscopic methods. The products of these dehydrohalogenation reactions are apropriate
J N McDougal et al.
Microscopy research and technique, 37(3), 214-220 (1997-05-01)
Skin samples from Fischer-344 rats and Hartley guinea pigs exposed dermally to 1,2-dichlorobenzene (DCB) and chloropentafluorobenzene (CPFB) for up to 4 h were examined for chemical-induced damage. Samples were stained with hematoxylin and eosin and scored for polymorphonuclear cell (PMN)
E R Kinkead et al.
Toxicology and industrial health, 6(6), 533-550 (1990-12-01)
Ten Fischer 344 rats and six B6C3F1 mice of each sex were exposed to air, 0.25, 0.80, or 2.50 mg chloropentafluorobenzene (CPFB)/liter of air for three weeks, excluding weekends. Exposure to 2.50 mg/liter caused a reduction in the growth rate
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