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193666 Sigma-Aldrich

Chloropentafluorobenzene

99%

  • CAS Number 344-07-0

  • Linear Formula ClC6F5

  • Molecular Weight 202.51

  •  Beilstein/REAXYS Number 1819389

  •  EC Number 206-450-6

  •  MDL number MFCD00000534

  •  PubChem Substance ID 24851603

  •  NACRES NA.22

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Properties

Related Categories Aryl, Aryl Fluorinated Building Blocks, Building Blocks, C6, Chemical Synthesis,
Quality Level   100
assay   99%
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

Description

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

Packaging

25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 2
RTECS 
CZ1225500
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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Protocols & Articles
Peer-Reviewed Papers
15

References

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