CAS 1129-35-7: Methyl 4-cyanobenzoate

Description: Methyl 4-cyanobenzoate, with the CAS number 1129-35-7, is an organic compound that belongs to the class of benzoates. It features a methyl ester functional group and a cyano group attached to a benzene ring, specifically at the para position relative to the ester. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its aromatic properties and is often used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Methyl 4-cyanobenzoate is soluble in organic solvents such as ethanol and acetone but has limited solubility in water. It exhibits moderate toxicity and should be handled with care, following appropriate safety protocols. The compound can undergo various chemical reactions, including nucleophilic substitutions and hydrolysis, making it a versatile building block in synthetic chemistry. Its unique structure contributes to its reactivity and potential applications in various chemical processes.

Formula: C₉H₇NO₂

InChI: InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3

InChI key: InChIKey=KKZMIDYKRKGJHG-UHFFFAOYSA-N

SMILES: N#CC1=CC=C(C=C1)C(=O)OC

Synonyms:

• 4-(Methoxycarbonyl)benzonitrile
• 4-Cy!nobenzoic acid methyl ester
• 4-Cyanobenzoic acid methyl ester
• Benzoic acid, 4-cyano-, methyl ester
• Benzoic acid, p-cyano-, methyl ester
• Cyanbenzoicacidmethylester
• Methyl p-cyanobenzoate
• p-Cyanobenzoic acid methyl ester
• Methyl 4-cyanobenzoate

Methyl 4-Cyanobenzoate

CAS: 1129-35-7

• Formula: C₉H₇NO₂
• Purity: >98.0%(GC)
• Color and Shape: White to Light yellow powder to crystal
• Molecular weight: 161.16

Methyl 4-cyanobenzoate, 99%

CAS: 1129-35-7

It finds its application in the chemoselective biotransformation of nitriles by Rhodococcus equi A4 and …

• Formula: C₉H₇NO₂
• Purity: 99%
• Color and Shape: White to cream to pale yellow, Crystals or powder or crystalline powder or fused solid
• Molecular weight: 161.16

Methyl 4-cyanobenzoate

CAS: 1129-35-7

• Formula: C₉H₇NO₂
• Purity: 96%
• Color and Shape: Solid
• Molecular weight: 161.1574

Methyl 4-cyanobenzoate

CAS: 1129-35-7

• Formula: C₉H₇NO₂
• Purity: 0.98
• Color and Shape: off-white solid
• Molecular weight: 161.16g/mol

Methyl 4-Cyanobenzoate

CAS: 1129-35-7

• Purity: 96.00%
• Color and Shape: Solid, Powder
• Molecular weight: 161.16000366210938

Methyl-4-cyanobenzoate

CAS: 1129-35-7

Methyl-4-cyanobenzoate is a nucleophilic compound that reacts with electrophilic functional groups. It is used in …

• Formula: C₉H₇NO₂
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 161.16 g/mol

Methyl 4-Cyanobenzoate-13C2,15N

CAS: 1129-35-7

• Formula: C₇C₂H₇NO₂
• Color and Shape: Neat
• Molecular weight: 164.14

Methyl 4-Cyanobenzoate

CAS: 1129-35-7

Applications Methyl 4-Cyanobenzoate (cas# 1129-35-7) is a compound useful in organic synthesis.

• Formula: C₉H₇NO₂
• Color and Shape: Neat
• Molecular weight: 161.16