≥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.
| カノニカル・スマイル | C1CC(CCC1C#N)(F)F |
|---|---|
| IUPAC Name | 4,4-difluorocyclohexane-1-carbonitrile |
| InChIKey | IZGJQRIMRGAMTH-UHFFFAOYSA-N |
| INCHI | 1S/C7H9F2N/c8-7(9)3-1-6(5-10)2-4-7/h6H,1-4H2 |
| 異性体SMILES | C1CC(CCC1C#N)(F)F |
| 代替CAS番号 | 922728-21-0 |
| PubChem CID | 23582969 |
| 分子量 | 145.15 |
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 | Organohalogen compounds |
| 分類 | Alkyl halides |
| Subclass | Cyclohexyl halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclohexyl halides |
| Alternative Parents | Nitriles Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclohexyl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Alkyl fluoride - Aliphatic homomonocyclic compound |
| 説明 | 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 |
| 分子量 | 145.150 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 145.07 Da |
| Monoisotopic Mass | 145.07 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
