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193666

Sigma-Aldrich

Chloropentafluorobenzene

99%

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About This Item

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

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.)

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

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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

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_germany

WGK 2

ppe

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

Certificates of Analysis (COA)

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Catalytic and Noncatalytic Ammonolysis of Chloropentafluorobenzene.
Selivanova GA, et al.
Russ. J. Org. Chem., 37(3), 404-409 (2001)
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
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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