chempirical

4-(Trifluoromethyl)benzoyl chloride

C8H4ClF3OCAS 329-15-7208.56 g/mol

Open in Covalent MOL file
OClFFF
Acyl halideAlkyl halide

Properties

Molecular formula
C8H4ClF3O
Molar mass
208.56 g/mol
Exact mass
207.9903 Da
Density
1.4035 g/mL (at 20 °C)
Melting point
64–65 °C
Boiling point
74–75 °C (at 12 Torr)
logP
3.08Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
329-15-7
SMILES
O=C(Cl)c1ccc(C(F)(F)F)cc1
InChIKey
OXZYBOLWRXENKT-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • Benzoyl chloride, 4-(trifluoromethyl)-
  • p-Toluoyl chloride, α,α,α-trifluoro-
  • p-Trifluoromethylbenzoic acid chloride
  • α,α,α-Trifluoro-p-toluoyl chloride
  • p-(Trifluoromethyl)benzoyl chloride
  • 4-(Trifluoromethyl)-1-benzenecarbonyl chloride
  • NSC 88292
  • 4-Trifluoromethylphenylcarbonyl chloride
  • 4-(Trifluoromethyl)benzoic acid chloride
  • p-Trifluoromethylchloroformic acid

Work with 4-(Trifluoromethyl)benzoyl chloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Bis(trifluoromethyl)benzoyl chloride785-56-866 % similar Terephthaloyl chloride100-20-963 % similar 4-tert-Butylbenzoyl chloride1710-98-160 % similar 4-(Trifluoromethyl)benzamide1891-90-359 % similar 4-(Trifluoromethyl)benzoyl fluoride368-94-557 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-356 % similar 4-Fluorobenzoyl chloride403-43-055 % similar 4-(Trifluoromethyl)benzoic acid455-24-355 % similar

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

Same formula

3-(Trifluoromethyl)benzoyl chloride2251-65-2 2-(Trifluoromethyl)benzoyl chloride312-94-7 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-9 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook