CAS 4513-77-3

2-oxocyclohexanecarbonitrile

Description:

2-Oxocyclohexanecarbonitrile, with the CAS number 4513-77-3, is an organic compound characterized by a cyclohexane ring that is substituted with a carbonitrile group and a ketone functional 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 reactivity due to the presence of both the carbonyl and nitrile functional groups, which can participate in various chemical reactions, including nucleophilic additions and condensation reactions. The compound is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its solubility can vary, but it is generally soluble in organic solvents. Safety data indicates that, like many nitriles, it should be handled with care due to potential toxicity and irritant properties. Proper safety measures, including the use of personal protective equipment, are recommended when working with this substance.

Formula: C₇H₉NO

InChI: InChI=1/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2

SMILES: C1CCC(=O)C(C1)C#N

Synonyms:

• Cyclohexanecarbonitrile, 2-oxo-
• 2-Oxocyclohexanecarbonitrile
• 2-oxocyclohexane-1-carbonitrile
• 2-Cyanocyclohexanone
• 1-Cyano-2-oxocyclohexane
• 2-ketocyclohexanecarbonitrile
• NSC 2841
• 2-OXOCYCLOHEXANECARBONITRILE: 85-90%
• alpha-Cyanocyclohexanone

2-Oxocyclohexanecarbonitrile

CAS: 4513-77-3

Formula: C₇H₉NO

Purity: 95%

Color and Shape: Liquid

Molecular weight: 123.1525

Ref: IN-DA00DCL7

2-Oxocyclohexane-1-carbonitrile

CAS: 4513-77-3

2-Oxocyclohexane-1-carbonitrile

Formula: C₇H₉NO

Purity: 99%

Color and Shape: clear. colourless oil

Molecular weight: 123.15g/mol

Ref: 54-OR7944

2-Oxocyclohexanecarbonitrile

CAS: 4513-77-3

Formula: C₇H₉NO

Purity: 95.0%

Color and Shape: Liquid, Oil

Molecular weight: 123.155

Ref: 10-F023580

2-Oxocyclohexanecarbonitrile

CAS: 4513-77-3

2-Oxocyclohexanecarbonitrile is a synthetic compound that is used as an intermediate in the production of other organic compounds. It is a hypervalent carbonitrile, which means it has a carbon atom double-bonded to two nitrogens. This chemical also appears naturally in some plants, such as arene, anthranilic, and enolate.
2-Oxocyclohexanecarbonitrile can be used as a reagent for the synthesis of phosphites and dehydrogenases. It can also be used as a substrate for assays involving the conversion of arenes to alkenes with the use of potassium permanganate or hydrogen peroxide. The reaction mechanism involves an enolate intermediate.

Formula: C₇H₉NO

Purity: Min. 95%

Molecular weight: 123.15 g/mol

Ref: 3D-EAA51377