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About This Item
Linear Formula:
ClC6F5
CAS Number:
Molecular Weight:
202.51
Beilstein:
1819389
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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