CAS 58331-97-8

Benzoic acid, 4-chloro-2-cyano-, methyl ester

Description:

Benzoic acid, 4-chloro-2-cyano-, methyl ester, with the CAS number 58331-97-8, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzoic acid backbone with a chloro group at the para position and a cyano group at the ortho position relative to the ester group. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. The presence of the cyano group imparts notable reactivity, making it useful in various chemical syntheses and applications. The chloro substituent can influence the compound's polarity and solubility in organic solvents. Benzoic acid derivatives are often studied for their antimicrobial properties and potential applications in pharmaceuticals and agrochemicals. As with many organic compounds, safety precautions should be observed when handling this substance, as it may pose health risks if ingested or inhaled.

Formula: C₉H₆ClNO₂

InChI: InChI=1S/C9H6ClNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3

InChI key: InChIKey=JKAWTBOCEPQPBQ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(C#N)C=C(Cl)C=C1

Synonyms:

• Benzoic Acid, 4-Chloro-2-Cyano-, Methyl Ester
• Methyl 4-chloro-2-cyanobenzoate

Methyl 4-chloro-2-cyanobenzoate

CAS: 58331-97-8

Formula: C₉H₆ClNO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 195.6024

Ref: IN-DA00E97T

Methyl 4-chloro-2-cyanobenzoate

CAS: 58331-97-8

Methyl 4-chloro-2-cyanobenzoate

Purity: 95%

Molecular weight: 195.60g/mol

Ref: 54-OR76677

Methyl 4-chloro-2-cyanobenzoate

CAS: 58331-97-8

Formula: C₉H₆ClNO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 195.6

Ref: 10-F230862