≥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=C(N=C(C(=N1)Cl)C#N)Br |
|---|---|
| IUPAC Name | 6-bromo-3-chloropyrazine-2-carbonitrile |
| InChIKey | FAOLIJWZYYNLRZ-UHFFFAOYSA-N |
| INCHI | 1S/C5HBrClN3/c6-4-2-9-5(7)3(1-8)10-4/h2H |
| Isomeric SMILES | C1=C(N=C(C(=N1)Cl)C#N)Br |
| PubChem CID | 70701071 |
| Molecular Weight | 218.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazines |
| Alternative Parents | Aryl chlorides Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl bromide - Aryl chloride - Aryl halide - Pyrazine - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Cyanide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 218.440 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 216.904 Da |
| Monoisotopic Mass | 216.904 Da |
| Topological Polar Surface Area | 49.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 166.000 |
| 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 |
E2611262