≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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.
| Canonical Smiles | C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Br |
|---|---|
| IUPAC Name | 5-amino-1-(4-bromophenyl)pyrazole-4-carbonitrile |
| InChIKey | VWTGKVYPKFTDSL-UHFFFAOYSA-N |
| INCHI | 1S/C10H7BrN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 |
| Isomeric SMILES | C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Br |
| PubChem CID | 219733 |
| Molecular Weight | 263.09 |
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 | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Bromobenzenes Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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 |
|---|---|---|---|
 I2529057 | Certificate of Analysis | Jul 30, 2025 | A696376 |
| I2529058 | Certificate of Analysis | Jul 30, 2025 | A696376 |
| I2529059 | Certificate of Analysis | Jul 30, 2025 | A696376 |
| I2529060 | Certificate of Analysis | Jul 30, 2025 | A696376 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 263.090 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 261.985 Da |
| Monoisotopic Mass | 261.985 Da |
| Topological Polar Surface Area | 67.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |
