≥98% 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.
| Sonrisas canónicas | COC(=O)C1=C(C(=CC(=C1)Br)Br)N |
|---|---|
| IUPAC Name | methyl 2-amino-3,5-dibromobenzoate |
| InChIKey | NGXVMFCGYYHEGC-UHFFFAOYSA-N |
| INCHI | 1S/C8H7Br2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3 |
| Isómeros SMILES | COC(=O)C1=C(C(=CC(=C1)Br)Br)N |
| WGK Alemania | 3 |
| Peso molecular | 308.95 |
| Beilstein | 14(4)1083 |
| Reaxy-Rn | 3257505 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3257505&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives 2-bromoanilines Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 2-bromoaniline - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2219227 | Certificate of Analysis | Feb 04, 2026 | M102357 |
| H2219228 | Certificate of Analysis | Feb 04, 2026 | M102357 |
| B1222009 | Certificate of Analysis | Dec 22, 2025 | M102357 |
| L2121073 | Certificate of Analysis | Sep 21, 2023 | M102357 |
| B1802001 | Certificate of Analysis | Jun 21, 2022 | M102357 |
| Punto de fusión (°C) | 89-91°C |
|---|---|
| Peso molecular | 308.950 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 308.882 Da |
| Monoisotopic Mass | 306.884 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 201.000 |
| 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 |
