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Molecule record

4-(trifluoromethyl)benzoic acid

C8H5F3O2

190.12 g/mol

Loading structure

Molecular properties

Formula
C8H5F3O2
Molar mass
190.12 g·mol−1
Exact mass
190.0242 Da
5
PubChem CID
9966

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Carboxylic acid

Physical properties

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

Common names and synonyms

  • 207-242-8
  • 4-(Trifluoromethyl)benzoic acid, 98%
  • 4-TFMBA
  • 4-trifluoromethyl benzoic acid
  • 455-24-3
  • AC-2487
  • AKOS000118809
  • Benzoic acid, 4-(trifluoromethyl)-
Show all 24 synonyms
  • CHEBI:60696
  • DTXCID4040426
  • DTXSID0060018
  • Enamine_005626
  • HY-W015198
  • KA05X8S21Z
  • MFCD00002562
  • NCIOpen2_001327
  • NSC-88327
  • P-CARBOXYBENZOTRIFLUORIDE
  • Para-(trifluoromethyl)benzoic acid
  • RefChem:517135
  • SCHEMBL78879
  • alpha,alpha,alpha-Trifluoro-p-toluic acid
  • p-Trifluoromethylbenzoic acid
  • p-trifluoroformylbenzoic acid

Structure identifiers

Canonical SMILES
O=C(O)c1ccc(C(F)(F)F)cc1
Isomeric SMILES
C1=CC(=CC=C1C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey
SWKPKONEIZGROQ-UHFFFAOYSA-N
PubChem CID
9966

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 4-(trifluoromethyl)benzoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-(trifluoromethyl)benzoic acid; 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
4-(trifluoromethyl)benzoic acid - Formula, Structure | ChemArche