for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
4-Phenyl-3-furoxancarbonitrile is able to activate GCS (soluble guanylate cyclase) by releasing nitric oxide with the aid of thiol cofactors. 4-Phenyl-3-furoxancarbonitrile has also been shown to inhibit platelet aggregation.
| Canonical Smiles | C1=CC=C(C=C1)C2=NO[N+](=C2C#N)[O-] |
|---|---|
| IUPAC Name | 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carbonitrile |
| InChIKey | PMYJGTWUVVVOFO-UHFFFAOYSA-N |
| INCHI | 1S/C9H5N3O2/c10-6-8-9(11-14-12(8)13)7-4-2-1-3-5-7/h1-5H |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NO[N+](=C2C#N)[O-] |
| PubChem CID | 1756 |
| Molecular Weight | 187.2 |
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 | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | Furazans |
| Direct Parent | Furoxans |
| Alternative Parents | Benzene and substituted derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenoid - Furoxan - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furoxans. These are compounds containing a furoxan (1,2,5-oxadiazol-2-ium-2-olate) moiety. |
| External Descriptors | Not available |
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| Solubility | Soluble in ethanol (25 mg/ml), and DMSO (25 mg/ml). |
|---|---|
| Melt Point(°C) | 73-74° C |
| Molecular Weight | 187.150 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 187.038 Da |
| Monoisotopic Mass | 187.038 Da |
| Topological Polar Surface Area | 75.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 |
