≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated,Cool 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.
| Canonical Smiles | C1=C(C=C(C=C1C(=O)O)C(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 5-(trifluoromethyl)benzene-1,3-dicarboxylic acid |
| InChIKey | MFRAUNNXQCRKQI-UHFFFAOYSA-N |
| INCHI | 1S/C9H5F3O4/c10-9(11,12)6-2-4(7(13)14)1-5(3-6)8(15)16/h1-3H,(H,13,14)(H,15,16) |
| Isomeric SMILES | C1=C(C=C(C=C1C(=O)O)C(F)(F)F)C(=O)O |
| PubChem CID | 22140230 |
| Molecular Weight | 234.13 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives |
| Direct Parent | M-phthalic acid and derivatives |
| Alternative Parents | Trifluoromethylbenzenes Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Meta_phthalic_acid - Trifluoromethylbenzene - Benzoic acid - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2624042 | Certificate of Analysis | Jan 31, 2026 | B730484 |
| B2624043 | Certificate of Analysis | Jan 31, 2026 | B730484 |
| B2624044 | Certificate of Analysis | Jan 31, 2026 | B730484 |
| B2624045 | Certificate of Analysis | Jan 31, 2026 | B730484 |
| Molecular Weight | 234.130 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 234.014 Da |
| Monoisotopic Mass | 234.014 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 278.000 |
| 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 |
