CAS 7153-22-2

Benzoic acid, 4-cyano-, ethyl ester

Description:

Benzoic acid, 4-cyano-, ethyl ester, also known by its CAS number 7153-22-2, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol, with a cyano group positioned at the para position of the benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its moderate solubility in organic solvents and limited solubility in water. The presence of the cyano group contributes to its reactivity, making it useful in various chemical syntheses and applications, including as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, benzoic acid derivatives often exhibit antimicrobial properties, which can be beneficial in food preservation and other applications. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose health risks upon exposure. Proper storage and handling protocols are essential to ensure safety in laboratory and industrial settings.

Formula: C₁₀H₉NO₂

InChI: InChI=1/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3

InChI key: InChIKey=JLSSWDFCYXSLQX-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=C(C#N)C=C1

Synonyms:

• Ethyl p-cyanobenzoate
• Benzoic acid, p-cyano-, ethyl ester
• Ethyl 4-cyanobenzoate
• NSC 62689
• Benzoic acid, 4-cyano-, ethyl ester
• 4-CYANOBENZOIC ACID ETHYL ESTER
• RARECHEM AL BI 0074
• ethyl cyanobenzoate
• P-CYANOBENZOIC ACID ETHYL ESTER

Ethyl 4-Cyanobenzoate

CAS: 7153-22-2

Formula: C₁₀H₉NO₂

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 175.19

Ref: 3B-E1167

Benzoic acid, 4-cyano-,ethyl ester

CAS: 7153-22-2

Formula: C₁₀H₉NO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 175.1840

Ref: IN-DA005H3T

Ethyl 4-Cyanobenzoate

CAS: 7153-22-2

Ethyl 4-Cyanobenzoate

Formula: C₁₀H₉NO₂

Purity: 99%

Color and Shape: white solid

Molecular weight: 175.18g/mol

Ref: 54-OR350177

4-Cyanobenzoic acid ethyl ester

CAS: 7153-22-2

4-Cyanobenzoic acid ethyl ester is a hydrogen-bonding acceptor that is also able to form exciplexes with styrene. It has a conformation that is similar to that of aminobenzoate, which is a hydrogen-bonding donor. 4-Cyanobenzoic acid ethyl ester reacts with solvents such as benzene and chloroform, undergoing hydration reactions to form the corresponding 4-cyanophenol derivatives. It undergoes cyclization when heated in the presence of ruthenium(II) chloride to produce 1,4-dihydropyridine derivatives. The reaction mechanism for this reaction consists of two steps: an intramolecular nucleophilic attack followed by an intramolecular electrophilic substitution. The deionized water used in this synthetic process eliminates the need for drying agents and stabilizers, making it easier to carry out the synthesis.

Formula: C₁₀H₉NO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 175.18 g/mol

Ref: 3D-FC71232

Ethyl 4-cyanobenzoate

CAS: 7153-22-2

Formula: C₁₀H₉NO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 175.187

Ref: 10-F050019