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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:
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

Signal Word

Danger

Hazard Statements

H331

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

Certificates of Analysis (COA)

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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
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)
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)
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