193666
Chloropentafluorobenzene
99%
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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
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
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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Synthesis of 1, 2 difluoro-1, 2-bis (pentafluorophenyl) dichlorane.
Obaleye JA and Sams LC.
Journal of Fluorine Chemistry, 24(4), 413-418 (1984)
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)
H J Clewell et al.
Risk analysis : an official publication of the Society for Risk Analysis, 14(3), 265-276 (1994-06-01)
Noncancer risk assessment traditionally relies on applied dose measures, such as concentration in inhaled air or in drinking water, to characterize no-effect levels or low-effect levels in animal experiments. Safety factors are then incorporated to address the uncertainties associated with
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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