CAS 68432-92-8

methyl 3-(cyanomethyl)benzoate

Description:

Methyl 3-(cyanomethyl)benzoate, with the CAS number 68432-92-8, is an organic compound characterized by its ester functional group and a cyano group attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It has a distinctive aromatic odor, which is common among benzoate esters. The presence of the cyano group (-CN) contributes to its reactivity, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. Methyl 3-(cyanomethyl)benzoate is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. Its chemical properties include the ability to undergo nucleophilic substitution and addition reactions, which are typical for compounds containing both ester and nitrile functionalities. Safety data should be consulted for handling, as compounds with cyano groups can be toxic and require appropriate precautions during use.

Formula: C₁₀H₉NO₂

InChI: InChI=1/C10H9NO2/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5H2,1H3

SMILES: COC(=O)c1cccc(CC#N)c1

Synonyms:

• Benzoic Acid, 3-(Cyanomethyl)-, Methyl Ester
• 3-Cyanomethylbenzoic Acid Methyl Ester

Methyl 3-(cyanomethyl)benzoate

CAS: 68432-92-8

Formula: C₁₀H₉NO₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 175.1840

Ref: IN-DA0036MT

Methyl (3-cyanomethyl)benzoate

CAS: 68432-92-8

Methyl (3-cyanomethyl)benzoate

Purity: 98%

Molecular weight: 175.18g/mol

Ref: 54-OR480673

Ketoprofen Impurity 35

CAS: 68432-92-8

Formula: C₁₀H₉NO₂

Molecular weight: 175.19

Ref: 4Z-K-0270

Methyl 3-(cyanomethyl)benzoate

CAS: 68432-92-8

Purity: 97%

Molecular weight: 175.19

Ref: 10-F791594

3-Cyanomethylbenzoic acid methyl ester

CAS: 68432-92-8

3-Cyanomethylbenzoic acid methyl ester is a synthetic chemical compound that is used as an intermediate in the production of other chemicals. It is a chlorination agent that reacts with toluene and methanol in the presence of chlorine to produce 3-chloromethylbenzoic acid methyl ester. This reaction also produces a byproduct called sulphone, which can be converted into acylation reagents for use in organic synthesis. The chloride ion can be used for cyanation reactions, which are useful for producing dyes or pharmaceuticals.

Formula: C₁₀H₉NO₂

Purity: Min. 95%

Color and Shape: Solid

Molecular weight: 175.18 g/mol

Ref: 3D-FC70223