1,3,5-Trichloro-2,4,6-trifluorobenzene

C6Cl3F3CAS 319-88-0235.41 g/mol

Open in Covalent MOL file
FClFClFCl
Aryl halide

Properties

Molecular formula
C6Cl3F3
Molar mass
235.41 g/mol
Exact mass
233.9018 Da
Melting point
63 °C
Boiling point
198.4 °C
logP
4.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
319-88-0
SMILES
Fc1c(Cl)c(F)c(Cl)c(F)c1Cl
InChIKey
QPXZZPSKCVNHFW-UHFFFAOYSA-N
InChI
InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzene, 1,3,5-trichloro-2,4,6-trifluoro-
  • Sym-Trichlorotrifluorobenzene
  • 1,3,5-Trichlorotrifluorobenzene
  • Sym-Trifluorotrichlorobenzene
  • 2,4,6-Trifluorotrichlorobenzene
  • 1,3,5-Trifluorotrichlorobenzene
  • NSC 109622

Work with 1,3,5-Trichloro-2,4,6-trifluorobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dichloro-2,4,5,6-tetrafluorobenzene1198-61-485 % similar Chloropentafluorobenzene344-07-077 % similar 1-Bromo-3,5-dichloro-2,4,6-trifluorobenzene24812-13-365 % similar 3,5-Dichloro-2,4,6-trifluorobenzotrifluoride4284-10-058 % similar 3,5-Dichloro-2,4,6-trifluoropyridine1737-93-556 % similar 2,4-Dichloro-1,3,5-trifluorobenzene2368-53-856 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-348 % similar 3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride4284-09-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook