≥95% 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 | COC1=C(C=C(C(=C1)N)C(=O)O)Br |
|---|---|
| IUPAC Name | 2-amino-5-bromo-4-methoxybenzoic acid |
| InChIKey | YTAASTFSTXYEIX-UHFFFAOYSA-N |
| INCHI | 1S/C8H8BrNO3/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3H,10H2,1H3,(H,11,12) |
| Isomeric SMILES | COC1=C(C=C(C(=C1)N)C(=O)O)Br |
| PubChem CID | 19701926 |
| Molecular Weight | 246.06 |
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 | P-methoxybenzoic acids and derivatives |
| Alternative Parents | 3-halobenzoic acids Aminobenzoic acids Halobenzoic acids Methoxyanilines Aminophenyl ethers Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous amides Amino acids Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Aminophenyl ether - Benzoic acid - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Amino acid - Amino acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Primary amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 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 |
|---|---|---|---|
 L2516224 | Certificate of Analysis | Oct 28, 2025 | A729614 |
| L2516225 | Certificate of Analysis | Oct 28, 2025 | A729614 |
| L2516226 | Certificate of Analysis | Oct 28, 2025 | A729614 |
| L2516227 | Certificate of Analysis | Oct 28, 2025 | A729614 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 246.060 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 244.969 Da |
| Monoisotopic Mass | 244.969 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| 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 |
