chempirical

1-Chloro-3,5-bis(trifluoromethyl)benzene

C8H3ClF6CAS 328-72-3248.55 g/mol

Open in Covalent MOL file
FFFClFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H3ClF6
Molar mass
248.55 g/mol
Exact mass
247.9827 Da
Density
1.5 g/mL
Melting point
−25 °C
Boiling point
138 °C
logP
4.38Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
328-72-3
SMILES
FC(F)(F)c1cc(Cl)cc(C(F)(F)F)c1
InChIKey
OXMBWPJFVUPOFO-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1-chloro-3,5-bis(trifluoromethyl)-
  • 3,5-Bis(trifluoromethyl)chlorobenzene
  • 5-Chloro-1,3-bis(trifluoromethyl)benzene

Work with 1-Chloro-3,5-bis(trifluoromethyl)benzene

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-5-(trifluoromethyl)benzene54773-20-589 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-868 % similar Parachlorobenzotrifluoride98-56-657 % similar 1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-955 % similar 3,5-Bis(trifluoromethyl)benzene402-31-355 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-652 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-750 % similar Tris[3,5-bis(trifluoromethyl)phenyl]phosphine175136-62-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook