≥97% 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.
| Canonical Smiles | COC1=C(C=C(C=C1)C(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 2-methoxy-5-(trifluoromethyl)benzoic acid |
| InChIKey | NAKZCKOHULJEID-UHFFFAOYSA-N |
| INCHI | 1S/C9H7F3O3/c1-15-7-3-2-5(9(10,11)12)4-6(7)8(13)14/h2-4H,1H3,(H,13,14) |
| Isomeric SMILES | COC1=C(C=C(C=C1)C(F)(F)F)C(=O)O |
| PubChem CID | 13585909 |
| Molecular Weight | 220.14 |
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 | Methoxybenzoic acids and derivatives |
| Direct Parent | O-methoxybenzoic acids and derivatives |
| Alternative Parents | Trifluoromethylbenzenes Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-methoxybenzoic acid or derivatives - Trifluoromethylbenzene - Benzoic acid - Anisole - Methoxybenzene - Phenol ether - Benzoyl - Phenoxy compound - Alkyl aryl ether - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy 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 |
|---|---|---|---|
 I2510496 | Certificate of Analysis | Jul 03, 2025 | M727591 |
| I2510497 | Certificate of Analysis | Jul 03, 2025 | M727591 |
| I2510498 | Certificate of Analysis | Jul 03, 2025 | M727591 |
| I2510499 | Certificate of Analysis | Jul 03, 2025 | M727591 |
| Molecular Weight | 220.140 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 220.035 Da |
| Monoisotopic Mass | 220.035 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| 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 |
