2-(Trifluoromethyl)benzaldehyde

C8H5F3OCAS 447-61-0174.12 g/mol

Open in Covalent MOL file
OFFF
AldehydeAlkyl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Similar compounds

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-067 % similar 2-Chloro-3-(trifluoromethyl)benzaldehyde93118-03-767 % similar 2-Methyl-3-(trifluoromethyl)benzaldehyde878001-20-865 % similar o-(Trifluoromethyl)styrene395-45-959 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-258 % similar 2,4-Bis(trifluoromethyl)benzaldehyde59664-42-558 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-056 % similar 4-Fluoro-2-(trifluoromethyl)benzaldehyde90176-80-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2′,4′,5′-Trifluoroacetophenone129322-83-4 1-(2,3,6-Trifluorophenyl)ethanone208173-22-2 3',4',5'-Trifluoroacetophenone220141-73-1 1-(2,3,4-Trifluorophenyl)ethan-1-one243448-15-9 2,2,2-Trifluoro-1-phenylethanone434-45-7 3-(Trifluoromethyl)benzaldehyde454-89-7 4-(Trifluoromethyl)benzaldehyde455-19-6 2',4',6'-Trifluoroacetophenone51788-77-3

Elsewhere

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