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
Quality Level
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
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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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
Synthesis of 1, 2 difluoro-1, 2-bis (pentafluorophenyl) dichlorane.
Obaleye JA and Sams LC.
Journal of Fluorine Chemistry, 24(4), 413-418 (1984)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 193666-25G | 04061838760883 |