CAS 16532-78-8

3-(cyanomethyl)benzonitrile

Description:

3-(Cyanomethyl)benzonitrile, with the CAS number 16532-78-8, is an organic compound characterized by the presence of both a benzonitrile and a cyanomethyl group. This compound features a benzene ring substituted at the meta position with a cyanomethyl group (-CH2-C≡N), which contributes to its reactivity and potential applications in organic synthesis. The presence of the nitrile functional group (-C≡N) imparts significant polarity and can influence the compound's solubility in various solvents. Typically, compounds like 3-(cyanomethyl)benzonitrile exhibit moderate to high melting and boiling points due to the strength of the intermolecular forces present, such as dipole-dipole interactions. Additionally, the compound may participate in nucleophilic addition reactions due to the electrophilic nature of the nitrile carbon. Its structural features suggest potential utility in the synthesis of pharmaceuticals, agrochemicals, or as intermediates in organic reactions. Safety data should be consulted for handling, as nitriles can be toxic and require appropriate precautions.

Formula: C₉H₆N₂

InChI: InChI=1/C9H6N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4H2

SMILES: c1cc(CC#N)cc(c1)C#N

Synonyms:

• Acetonitrile, 2-(3-cyanophenyl)-
• Benzeneacetonitrile, 3-cyano-
• 3-Cyanomethylbenzonitrile
• 3-Cyanophenylacetonitrile
• 3-Cyanobenzeneacetonitrile
• m-Cyanophenylacetonitrile

Benzeneacetonitrile, 3-cyano-

CAS: 16532-78-8

Formula: C₉H₆N₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 142.1573

Ref: IN-DA001W36

3-(Cyanomethyl)benzonitrile

CAS: 16532-78-8

Formula: C₉H₆N₂

Purity: 97%

Molecular weight: 142.161

Ref: 10-F229747

3-Cyanbenzylcyanide

CAS: 16532-78-8

3-Cyanbenzylcyanide is a synthetic compound that belongs to the class of benzonitriles. It is used as an intermediate in organic synthesis, most notably for the production of atorvastatin and gabapentin. 3-Cyanbenzylcyanide is used in synthesizing amides, such as amides with acetonitrile. It has been shown to be a chemists' tool for elucidating the structures of complex molecules. The systematic study of 3-cyanbenzylcyanide has led to modifications that can be applied to other chemical compounds. The chemists have also examined the biotransformations of 3-cyanbenzylcyanide and found that it can be biotransformed into diacids and gabapentin by modifying its structure. The integration of 3-cyanbenzylcyanide with other compounds has led to new discoveries in the field

Formula: C₉H₆N₂

Purity: Min. 95%

Molecular weight: 142.16 g/mol

Ref: 3D-RAA53278