CAS 42185-27-3

2-Oxocyclohexaneacetonitrile

Description:

2-Oxocyclohexaneacetonitrile, with the CAS number 42185-27-3, is an organic compound characterized by its unique structure, which includes a cyclohexane ring and a nitrile functional group. This compound typically exhibits a colorless to pale yellow appearance and is soluble in organic solvents, making it useful in various chemical applications. The presence of the oxo group (carbonyl) contributes to its reactivity, allowing it to participate in nucleophilic addition reactions. Its nitrile group imparts additional properties, such as potential use in synthesis and as a building block in organic chemistry. The compound may also exhibit moderate volatility and stability under standard conditions, but specific handling precautions should be taken due to potential toxicity associated with nitriles. Overall, 2-Oxocyclohexaneacetonitrile serves as an important intermediate in the synthesis of pharmaceuticals and agrochemicals, highlighting its relevance in both industrial and research settings.

Formula: C₈H₁₁NO

InChI: InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-5H2

InChI key: InChIKey=NDKUZEVDMZDUGK-UHFFFAOYSA-N

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

Synonyms:

• Cyclohexaneacetonitrile, 2-oxo-
• 2-Oxocyclohexaneacetonitrile
• 2-(Cyanomethyl)cyclohexanone
• 2-(2-Oxocyclohexyl)acetonitrile

2-(2-Oxocyclohexyl)acetonitrile

CAS: 42185-27-3

2-(2-Oxocyclohexyl)acetonitrile

Purity: 95%

Molecular weight: 137.18g/mol

Ref: 54-OR86532

2-(2-Oxocyclohexyl)acetonitrile

CAS: 42185-27-3

Purity: 95%

Molecular weight: 137.1820068

Ref: 10-F633790

(2-Oxocyclohexyl)acetonitrile

CAS: 42185-27-3

2-Oxocyclohexyl)acetonitrile is an indole that has been shown to catalyze the reaction of a metal compound and hydrogen. It also has been shown to inhibit the production of skatole, a toxic metabolite of tryptophan found in feces. 2-Oxocyclohexyl)acetonitrile binds to indoles through hydrogen bonding, which can be reduced by metal catalysts.

Formula: C₈H₁₁NO

Purity: Min. 95%

Molecular weight: 137.18 g/mol

Ref: 3D-SBA18527