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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1CC(CCC1N2C(=C(C=N2)C#N)N)(F)F |
|---|---|
| IUPAC Name | 5-amino-1-(4,4-difluorocyclohexyl)pyrazole-4-carbonitrile |
| InChIKey | PSYAZOGUWFIFLN-UHFFFAOYSA-N |
| INCHI | 1S/C10H12F2N4/c11-10(12)3-1-8(2-4-10)16-9(14)7(5-13)6-15-16/h6,8H,1-4,14H2 |
| Peso molecular | 226.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Clase | Alkyl halides |
| Subclass | Cyclohexyl halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclohexyl halides |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Cyclohexyl halide - Azole - Pyrazole - Heteroaromatic compound - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Primary amine - Organonitrogen compound - Organofluoride - Amine - Alkyl fluoride - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom. |
| External Descriptors | Not available |
| Peso molecular | 226.230 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 226.103 Da |
| Monoisotopic Mass | 226.103 Da |
| Topological Polar Surface Area | 67.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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 |