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193666

Sigma-Aldrich

Chloropentafluorobenzene

99%

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25 G
$61.70

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25 G
$61.70

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

$61.70

Available to ship onMay 01, 2025Details

Request a Bulk Order

Quality Level

100

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

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[1]. Chloropentafluorobenzene on reaction with ammonia yields 4-chloro-2,3,5,6-tetrafluoroaniline and 2-chloro-3,4,5,6-tetrafluoroaniline[2].

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[3]
  • 5-chloro-1-(difluorochloro)-2,3,4,5,6,6-hexafluoro-1,3-cyclohexadiene via reaction with chlorine trifluoride at −78°C[4]

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)

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Certificates of Analysis (COA)

Lot/Batch Number
STBK7533
STBJ2173
STBG7567
STBG3066V
STBG1684V

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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)
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
W D Crank et al.
Toxicology and industrial health, 8(1-2), 21-35 (1992-01-01)
Chloropentafluorobenzene (CPFB) has been proposed as an innocuous simulant for the uptake of toxic gases. Exposure to CPFB in a training exercise could be inferred afterwards from a measurement of CPFB in expired breath. To understand the relationship between exposure
Synthesis of 1, 2 difluoro-1, 2-bis (pentafluorophenyl) dichlorane.
Obaleye JA and Sams LC.
Journal of Fluorine Chemistry, 24(4), 413-418 (1984)
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