≥97% 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.
| Canonical Smiles | CC1=C(C2=C(C=C1)NN=C2N)Br |
|---|---|
| IUPAC Name | 4-bromo-5-methyl-1H-indazol-3-amine |
| InChIKey | FKLIXMKJIGOMOT-UHFFFAOYSA-N |
| INCHI | 1S/C8H8BrN3/c1-4-2-3-5-6(7(4)9)8(10)12-11-5/h2-3H,1H3,(H3,10,11,12) |
| Isomeric SMILES | CC1=C(C2=C(C=C1)NN=C2N)Br |
| Alternate CAS | 1715912-74-5 |
| PubChem CID | 118046757 |
| Molecular Weight | 226.07 |
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 | Organoheterocyclic compounds |
| Class | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Imidolactams Benzenoids Pyrazolines Pyrazoles Heteroaromatic compounds Amidrazones Vinyl bromides Hydrazones Bromoalkenes Azacyclic compounds Amidines Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indazole - Benzopyrazole - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrazoline - Pyrazole - Azole - Carboxylic acid amidrazone - Azacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Hydrazone - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Molecular Weight | 226.070 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 224.99 Da |
| Monoisotopic Mass | 224.99 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| 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 |
