≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged 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=CC(=C(C=C1C(=O)O)N)OC(F)(F)F |
|---|---|
| IUPAC Name | 3-amino-4-(trifluoromethoxy)benzoic acid |
| InChIKey | ZEPYQTSEUXLBDD-UHFFFAOYSA-N |
| INCHI | 1S/C8H6F3NO3/c9-8(10,11)15-6-2-1-4(7(13)14)3-5(6)12/h1-3H,12H2,(H,13,14) |
| Isomeric SMILES | C1=CC(=C(C=C1C(=O)O)N)OC(F)(F)F |
| PubChem CID | 20274094 |
| Molecular Weight | 221.13 |
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 | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Aniline and substituted anilines Trihalomethanes Amino acids Carboxylic acids Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Benzoic acid - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Amino acid or derivatives - Amino acid - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. |
| 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 |
|---|---|---|---|
 K2504209 | Certificate of Analysis | Sep 30, 2025 | A729774 |
| K2504211 | Certificate of Analysis | Sep 30, 2025 | A729774 |
| K2504214 | Certificate of Analysis | Sep 30, 2025 | A729774 |
| K2504215 | Certificate of Analysis | Sep 30, 2025 | A729774 |
| Molecular Weight | 221.130 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 221.03 Da |
| Monoisotopic Mass | 221.03 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 |
