CAS 76469-88-0

Benzoic acid, 4-(cyanomethyl)-, methyl ester

Description:

Benzoic acid, 4-(cyanomethyl)-, methyl ester, with the CAS number 76469-88-0, 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 is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the cyano group introduces polar characteristics, which can influence its reactivity and interactions in chemical processes. Benzoic acid derivatives are often used in various applications, including as intermediates in organic synthesis, in the production of pharmaceuticals, and as flavoring agents. The compound may exhibit moderate toxicity, and appropriate safety measures should be taken when handling it. Its chemical behavior can be influenced by factors such as pH, temperature, and the presence of other reactive species in the environment.

Formula: C₁₀H₉NO₂

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

InChI key: InChIKey=XRZGMNGGCZTNGE-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-(cyanomethyl)-, methyl ester
• Methyl 4-(Cyanomethyl)Benzoate
• Methyl 4-cyanomethylbenzoate
• Methyl p-(cyanomethyl)benzoate
• Methyl α-cyano-p-toluate
• [p-(Methoxycarbonyl)phenyl]acetonitrile
• p-Toluic acid, α-cyano-, methyl ester

Methyl 4-(cyanomethyl)benzoate

CAS: 76469-88-0

Formula: C₁₀H₉NO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 175.1840

Ref: IN-DA003574

Methyl 4-(cyanomethyl)benzoate

CAS: 76469-88-0

Methyl 4-(cyanomethyl)benzoate

Purity: 97%

Color and Shape: Solid

Molecular weight: 175.18g/mol

Ref: 54-OR46202

Methyl 4-(Cyanomethyl)benzoate

CAS: 76469-88-0

Formula: C₁₀H₉NO₂

Purity: >95.0%(GC)

Color and Shape: White to Gray to Brown powder to crystal

Molecular weight: 175.19

Ref: 3B-M2341

Ketoprofen Impurity 36

CAS: 76469-88-0

Formula: C₁₀H₉NO₂

Molecular weight: 175.19

Ref: 4Z-K-0271

Methyl 4-(cyanomethyl)benzoate

CAS: 76469-88-0

Methyl 4-(cyanomethyl)benzoate is a synthetic compound that binds to the H1 receptor, which is part of the histamine family. It is an antagonist of this receptor and inhibits its activity. The affinity of methyl 4-(cyanomethyl)benzoate for the H1 receptor was measured by fluorescence displacement analysis in rat brain membranes. This compound also has potent anti-inflammatory properties, which may be due to its inhibition of prostaglandin synthesis. Methyl 4-(cyanomethyl)benzoate has been shown to be expressed in cells that are chemotactic for neutrophils and natural killer (NK) cells. Methyl 4-(cyanomethyl)benzoate also binds to a prostanoid receptor, CRTh2, leading to an increase in NK cell migration.
Methyl 4-(cyanomethyl)benzoate inhibits cyclooxygenase-1 (COX

Formula: C₁₀H₉NO₂

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 175.18 g/mol

Ref: 3D-FM32935

Methyl 4-(cyanomethyl)benzoate

CAS: 76469-88-0

Formula: C₁₀H₉NO₂

Purity: 95%

Color and Shape: Solid, White to slightly pale yellow powder

Molecular weight: 175.187

Ref: 10-F092208