2-Methyl-3-(trifluoromethyl)benzaldehyde

C9H7F3OCAS 878001-20-8188.15 g/mol

Open in Covalent MOL file
FFFO
AldehydeAlkyl halide

Properties

Molecular formula
C9H7F3O
Molar mass
188.15 g/mol
Exact mass
188.0449 Da
logP
2.83Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
878001-20-8
SMILES
CC1=C(C=CC=C1C(F)(F)F)C=O
InChIKey
CUQHTBQRXZCFTC-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-5H,1H3

Weigh it out

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

Work with 2-Methyl-3-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)benzaldehyde447-61-065 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-062 % similar 2-Chloro-3-(trifluoromethyl)benzaldehyde93118-03-762 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-356 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-055 % similar 2,3-Dimethylbenzaldehyde5779-93-155 % similar 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-653 % similar 3-Bromo-2-methylbenzaldehyde83647-40-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-(Trifluoromethyl)acetophenone17408-14-9 3'-(Trifluoromethyl)acetophenone349-76-8 1,1,1-Trifluoro-3-phenyl-2-propanone350-92-5 4-(Trifluoroacetyl)toluene394-59-2 1-(4-(Trifluoromethyl)phenyl)ethan-1-one709-63-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook