≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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(=C1N)C(=O)O)F)F |
|---|---|
| IUPAC Name | 6-amino-2,3-difluorobenzoic acid |
| InChIKey | CKPWBLHHQXCINB-UHFFFAOYSA-N |
| INCHI | 1S/C7H5F2NO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,10H2,(H,11,12) |
| Isomeric SMILES | C1=CC(=C(C(=C1N)C(=O)O)F)F |
| PubChem CID | 19612034 |
| Molecular Weight | 173.12 |
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 | 2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Vinylogous amides Amino acids Organic oxides Organofluorides Organooxygen compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Vinylogous amide - Vinylogous halide - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - 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 |
|---|---|---|---|
 B2521077 | Certificate of Analysis | Sep 23, 2024 | A680689 |
| B2521088 | Certificate of Analysis | Sep 23, 2024 | A680689 |
| B2521089 | Certificate of Analysis | Sep 23, 2024 | A680689 |
| B2521090 | Certificate of Analysis | Sep 23, 2024 | A680689 |
| B2521091 | Certificate of Analysis | Sep 23, 2024 | A680689 |
| B2521095 | Certificate of Analysis | Sep 23, 2024 | A680689 |
| Molecular Weight | 173.120 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.029 Da |
| Monoisotopic Mass | 173.029 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
