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About This Item
Linear Formula:
ClC6F5
CAS Number:
Molecular Weight:
202.51
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-450-6
Beilstein/REAXYS Number:
1819389
MDL number:
Assay:
99%
Form:
liquid
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
Quality Level
bp
122-123 °C/750 mmHg (lit.)
density
1.568 g/mL at 25 °C (lit.)
functional group
chloro, fluoro
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
signalword
Danger
hcodes
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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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
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)
Catalytic and Noncatalytic Ammonolysis of Chloropentafluorobenzene.
Selivanova GA, et al.
Russ. J. Org. Chem., 37(3), 404-409 (2001)
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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