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Molecule record

3-(trifluoromethyl)benzaldehyde

C8H5F3O

174.12 g/mol

Loading structure

Molecular properties

Formula
C8H5F3O
Molar mass
174.12 g·mol−1
Exact mass
174.0292 Da
5
PubChem CID
67990

Functional groups

Aldehyde
Alkane / alkyl carbon
Alkyl halide
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 3-(TRIFLUOROMETHYL)PHENYLCARBOXALDEHYDE
  • 3-(Trifluoromethyl)phenylcarboxaldehyde; m-(Trifluoromethyl)benzaldehyde; a,a,a-Trifluoro-m-tolualdehyde
  • 3-(trifluoromethyl)-benzaldehyde
  • 3-(trifluoromethyl)benzenecarbaldehyde
  • 454-89-7
  • AC-3866
  • AT7H4H5U3E
  • Benzaldehyde, 3-(trifluoromethyl)-
Show all 24 synonyms
  • Cinacalcet Impurity 35
  • DTXCID902032
  • DTXSID8022032
  • EINECS 207-228-1
  • FT-0613919
  • I+/-,I+/-,I+/--trifluoro-3-tolualdehyde
  • MFCD00003373
  • RefChem:496367
  • UNII-AT7H4H5U3E
  • a,a,a-trifluoro-m-tolualdehyde
  • alpha, alpha,
  • alpha,alpha,alpha-Trifluoro-3-tolualdehyde
  • alpha,alpha,alpha-Trifluoro-m-tolualdehyde
  • m-(trifluoromethyl)benzaldehyde
  • m-Tolualdehyde, .alpha.,.alpha.,.alpha.-trifluoro-
  • m-Tolualdehyde, alpha,alpha,alpha-trifluoro-

Structure identifiers

Canonical SMILES
O=Cc1cccc(C(F)(F)F)c1
Isomeric SMILES
C1=CC(=CC(=C1)C(F)(F)F)C=O
InChI
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
InChIKey
NMTUHPSKJJYGML-UHFFFAOYSA-N
PubChem CID
67990

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-(trifluoromethyl)benzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-(trifluoromethyl)benzaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record