≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-(Trifluoromethyl)benzoic acid was used in the synthesis of 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety. It was also used to investigate the binding of 2-pyridinone and amino acid derivative as ligands with chaperones PapD and FimC by surface plasmon resonance and 1HNMR spectroscopy.
| Pubchem Sid | 488181046 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181046 |
| Canonical Smiles | C1=CC=C(C(=C1)C(=O)O)C(F)(F)F |
| IUPAC Name | 2-(trifluoromethyl)benzoic acid |
| InChIKey | FBRJYBGLCHWYOE-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
| Isomeric SMILES | C1=CC=C(C(=C1)C(=O)O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 9899 |
| Molecular Weight | 190.12 |
| Beilstein | 976984 |
| Reaxy-Rn | 976984 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzoic acids Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | benzoic acids - (trifluoromethyl)benzenes |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2125393 | Certificate of Analysis | Sep 08, 2025 | T101272 |
| K2125394 | Certificate of Analysis | Sep 08, 2025 | T101272 |
| F1219008 | Certificate of Analysis | Mar 08, 2024 | T101272 |
| A2419676 | Certificate of Analysis | Nov 22, 2023 | T101272 |
| A2419677 | Certificate of Analysis | Nov 22, 2023 | T101272 |
| A2419678 | Certificate of Analysis | Nov 22, 2023 | T101272 |
| A2419679 | Certificate of Analysis | Nov 22, 2023 | T101272 |
| J2330555 | Certificate of Analysis | Oct 19, 2023 | T101272 |
| J2330556 | Certificate of Analysis | Oct 19, 2023 | T101272 |
| J2330564 | Certificate of Analysis | Oct 19, 2023 | T101272 |
| J2330573 | Certificate of Analysis | Oct 19, 2023 | T101272 |
| E2304334 | Certificate of Analysis | Jun 04, 2021 | T101272 |
| G2312074 | Certificate of Analysis | Jun 04, 2021 | T101272 |
| Boil Point(°C) | 247°C |
|---|---|
| Melt Point(°C) | 107-110°C |
| Molecular Weight | 190.120 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 190.024 Da |
| Monoisotopic Mass | 190.024 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
