CAS 4594-78-9

2-Oxocyclohexanepropanenitrile

Description:

2-Oxocyclohexanepropanenitrile, with the CAS number 4594-78-9, is an organic compound characterized by its unique structure that includes a cyclohexane ring, a ketone functional group (indicated by the "2-oxo" designation), and a nitrile group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is known for its potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of both the ketone and nitrile functional groups suggests that it may participate in various chemical reactions, such as nucleophilic additions or condensation reactions. Additionally, its molecular structure may impart specific physical properties, such as solubility in organic solvents and varying degrees of volatility. Safety data should be consulted for handling and storage, as compounds with nitrile groups can exhibit toxicity and require appropriate precautions. Overall, 2-Oxocyclohexanepropanenitrile is a compound of interest in synthetic organic chemistry.

Formula: C₉H₁₃NO

InChI: InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2

InChI key: InChIKey=SPTVCXKSSRBTMN-UHFFFAOYSA-N

SMILES: C(CC#N)C1C(=O)CCCC1

Synonyms:

• 2-(2-Cyanoethyl)-1-cyclohexanone
• 2-(2-Cyanoethyl)cyclohexanone
• 2-(Beta-Cyanoethyl)cyclohexanone
• 2-(β-Cyanoethyl)cyclohexanone
• 2-Oxocyclohexanepropanenitrile
• 2-Oxocyclohexanepropiononitrile
• 3-(2-Cyclohexanone)propionitrile
• 3-(2-Oxocyclohexyl)Propanenitrile
• 3-[(1R)-2-oxocyclohexyl]propanenitrile
• 3-[(1S)-2-oxocyclohexyl]propanenitrile
• Ai3-33245
• Cyclohexanepropanenitrile, 2-oxo-
• Cyclohexanepropionitrile, 2-oxo-
• NSC 119497

2-Oxocyclohexanepropionitrile, 99%

CAS: 4594-78-9

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₉H₁₃NO

Purity: 99%

Color and Shape: Pale yellow to brown, Liquid

Molecular weight: 151.21

Ref: 02-H50722

3-(2-Oxocyclohexyl)propanenitrile

CAS: 4594-78-9

Formula: C₉H₁₃NO

Purity: 95%

Color and Shape: Liquid

Molecular weight: 151.2056

Ref: IN-DA003EZI

3-(2-oxocyclohexyl)propanenitrile

CAS: 4594-78-9

3-(2-oxocyclohexyl)propanenitrile

Purity: 99%

Molecular weight: 151.20562g/mol

Ref: 54-OR24136

3-(2-Oxocyclohexyl)propanenitrile

CAS: 4594-78-9

Purity: 97.0%

Color and Shape: Liquid

Molecular weight: 151.20899963378906

Ref: 10-F069061