| Pubchem Sid | 488189900 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189900 |
| Canonical Smiles | C1=CC(=C(C(=C1)N)Cl)C(=O)O |
| IUPAC Name | 3-amino-2-chlorobenzoic acid |
| InChIKey | IQMIVFNEHPKEAI-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11) |
| Isomeric SMILES | C1=CC(=C(C(=C1)N)Cl)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 171.58 |
| Reaxy-Rn | 3247361 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3247361&ln= |
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 Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Amino acids Monocarboxylic acids and derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - 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 |
|---|---|---|---|
 I1418039 | Certificate of Analysis | Apr 15, 2026 | A123890 |
| I1418105 | Certificate of Analysis | Apr 15, 2026 | A123890 |
| F1412071 | Certificate of Analysis | Jan 05, 2026 | A123890 |
| I2108144 | Certificate of Analysis | Jun 11, 2025 | A123890 |
| I2108147 | Certificate of Analysis | Jun 11, 2025 | A123890 |
| C2302497 | Certificate of Analysis | Mar 15, 2023 | A123890 |
| Melt Point(°C) | 154-160°C |
|---|---|
| Molecular Weight | 171.580 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 171.009 Da |
| Monoisotopic Mass | 171.009 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
