≥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.
Kinetics of internal acyl migration and hydrolysis of the synthetic β-1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids in phosphate buffer was studied.
| Pubchem Sid | 488183729 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183729 |
| Canonical Smiles | C1=CC(=CC(=C1)OC(F)(F)F)C(=O)O |
| IUPAC Name | 3-(trifluoromethoxy)benzoic acid |
| InChIKey | OKPFIWIMBJNFSE-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| Isomeric SMILES | C1=CC(=CC(=C1)OC(F)(F)F)C(=O)O |
| WGK Germany | 3 |
| PubChem CID | 66096 |
| Molecular Weight | 206.12 |
| Reaxy-Rn | 2579574 |
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 | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Trihalomethanes Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| 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 |
|---|---|---|---|
 C1826103 | Certificate of Analysis | Oct 14, 2025 | T104513 |
| H2118319 | Certificate of Analysis | Jun 09, 2025 | T104513 |
| H2118320 | Certificate of Analysis | Jun 09, 2025 | T104513 |
| H2118321 | Certificate of Analysis | Jun 09, 2025 | T104513 |
| G2410616 | Certificate of Analysis | Apr 28, 2024 | T104513 |
| G2410617 | Certificate of Analysis | Apr 28, 2024 | T104513 |
| G2410618 | Certificate of Analysis | Apr 28, 2024 | T104513 |
| E1204044 | Certificate of Analysis | Apr 02, 2024 | T104513 |
| E2304294 | Certificate of Analysis | Aug 20, 2021 | T104513 |
| E2304295 | Certificate of Analysis | Aug 20, 2021 | T104513 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 86-88°C |
| Molecular Weight | 206.120 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.019 Da |
| Monoisotopic Mass | 206.019 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 214.000 |
| 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 |
