2-(Trifluoromethyl)benzaldehyde

C₈H₅F₃OCAS 447-61-0174.12 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₈H₅F₃O
Molar mass: 174.12 g/mol
Exact mass: 174.0292 Da
Melting point: 205 °C
Boiling point: 70 °C
logP: 2.52Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

447-61-0

SMILES

O=Cc1ccccc1C(F)(F)F

InChIKey

ZDVRPKUWYQVVDX-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 2-(trifluoromethyl)-
o-Tolualdehyde, α,α,α-trifluoro-
o-(Trifluoromethyl)benzaldehyde
α,α,α-Trifluoro-o-tolualdehyde

Work with 2-(Trifluoromethyl)benzaldehyde

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

Same formula

1-(2,4,5-Trifluorophenyl)ethanone129322-83-4 1-(2,3,6-Trifluorophenyl)ethanone208173-22-2 2,2,2-Trifluoro-1-phenylethanone434-45-7 3-(Trifluoromethyl)benzaldehyde454-89-7 4-(Trifluoromethyl)benzaldehyde455-19-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook