≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Sonrisas canónicas | C1=C(C=C(C2=NNN=C21)C(=O)O)Br |
|---|---|
| IUPAC Name | 6-bromo-2H-benzotriazole-4-carboxylic acid |
| InChIKey | SRLIKUKKKGJCOR-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrN3O2/c8-3-1-4(7(12)13)6-5(2-3)9-11-10-6/h1-2H,(H,12,13)(H,9,10,11) |
| Isómeros SMILES | C1=C(C=C(C2=NNN=C21)C(=O)O)Br |
| PubChem CID | 91662762 |
| Peso molecular | 242.03 |
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 | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 3-halobenzoic acids Benzotriazoles Aryl bromides Triazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Halobenzoic acid - 3-halobenzoic acid - 3-halobenzoic acid or derivatives - Benzotriazole - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 242.030 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.949 Da |
| Monoisotopic Mass | 240.949 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 226.000 |
| 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 |
