2-(Trifluoromethyl)benzoyl chloride
Properties
- Molecular formula
- C8H4ClF3O
- Molar mass
- 208.56 g/mol
- Exact mass
- 207.9903 Da
- Density
- 1.4158 g/mL (at 20 °C)
- Boiling point
- 90 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
312-94-7SMILES
O=C(Cl)c1ccccc1C(F)(F)FInChIKey
MXIUWSYTQJLIKE-UHFFFAOYSA-NInChI
InChI=1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzoyl chloride, 2-(trifluoromethyl)-
- o-Toluoyl chloride, α,α,α-trifluoro-
- α,α,α-Trifluoro-o-toluoyl chloride
- o-(Trifluoromethyl)benzoyl chloride
- NSC 88290
- 2-(Trifluoromethyl)benzene-1-carbonyl chloride
Work with 2-(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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-770 % similar
2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-265 % similar
1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-959 % similar
Phthaloyl chloride88-95-959 % similar
2-(Trifluoromethyl)benzoic acid433-97-658 % similar
Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-156 % similar
2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-556 % similar
2-Fluorobenzoyl chloride393-52-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds