3-(Trifluoromethyl)benzoyl chloride
Properties
- Molecular formula
- C8H4ClF3O
- Molar mass
- 208.56 g/mol
- Exact mass
- 207.9903 Da
- Boiling point
- 187 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
2251-65-2SMILES
O=C(Cl)c1cccc(C(F)(F)F)c1InChIKey
RUJYJCANMOTJMO-UHFFFAOYSA-NInChI
InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzoyl chloride, 3-(trifluoromethyl)-
- m-Toluoyl chloride, α,α,α-trifluoro-
- α,α,α-Trifluoro-m-toluoyl chloride
- m-(Trifluoromethyl)benzoyl chloride
- NSC 88307
- 3-[Trifluoromethyl]phenylcarbonyl chloride
- 3-Trifluoromethylbenzoyl chloride
Work with 3-(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
3,5-Bis(trifluoromethyl)benzoyl chloride785-56-868 % similar
Isophthaloyl chloride99-63-862 % similar
3-(Trifluoromethyl)benzoyl fluoride328-99-462 % similar
3′-(Trifluoromethyl)acetophenone349-76-860 % similar
3-(Trifluoromethyl)benzoic acid454-92-260 % similar
3-(Trifluoromethyl)benzophenone728-81-460 % similar
3-Fluorobenzoyl chloride1711-07-558 % similar
2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds