73831-13-7

Basic information

• Product Name: 4-cyano-3-methylbenzoic acid
• Synonyms: 4-cyano-3-methylbenzoic acid;Benzoic acid, 3-methyl-4-cyano-
• CAS NO: 73831-13-7
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• Mol File: 73831-13-7.mol
• Article Data: 17

Chemical Properties

• Melting Point: 216℃
• Boiling Point: 349.058°C at 760 mmHg
• Flash Point: 164.905°C
• Appearance: /
• Density: 1.26
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.61±0.10(Predicted)
• CAS DataBase Reference: 4-cyano-3-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-cyano-3-methylbenzoic acid(73831-13-7)
• EPA Substance Registry System: 4-cyano-3-methylbenzoic acid(73831-13-7)

Safety Data

• Hazardous Substances Data: 73831-13-7(Hazardous Substances Data)

Usage

Description

4-Cyano-3-methylbenzoic acid is an organic compound characterized by its cyano group (CN) at the 4th position and a methyl group (CH3) at the 3rd position on a benzoic acid backbone. It is a white crystalline solid with potential applications in various industries due to its chemical properties.

Uses

Used in Pharmaceutical Industry:
4-Cyano-3-methylbenzoic acid is used as a reactant for the preparation of 5,6-dihydrobenzo[h]quinazolin-4(3H)-ones. These compounds are significant because they serve as inhibitors of group A streptococcal streptokinase expression. By inhibiting the expression of streptokinase, a key enzyme in the pathogenesis of group A streptococcal infections, 4-cyano-3-methylbenzoic acid contributes to the development of potential therapeutic agents for treating such infections.

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

Upstream product

• 21789-36-6 2,4-dimethylbenzonitrile 
• 55984-93-5 2-methyl-1,4-dicyanobenzene 
• 7664-93-9 sulfuric acid 
• 2486-70-6 4-amino 3-methylbenzoic acid 
• 124-38-9 carbon dioxide 
• 67832-11-5 4-bromo-2-methylbenzonitrile 
• 109-72-8 n-butyllithium 
• 748101-41-9 zinc cyanide 
• 7697-28-1 4-bromo-3-methylbenzoic acid 

Downstream Products

• 5156-01-4 2-methylterephthalic acid 
• 1160759-52-3 4-cyano-3-methylbenzoyl chloride 
• 384832-33-1 4-(4-Cyano-3-methylbenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine 
• 384832-34-2 4-(4-Aminomethyl-3-methylbenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine 
• 479234-62-3 2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile 
• 479234-64-5 (4-(aminomethyl)-3-methylphenyl)(1-methyl-3a,4,10,10a-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepin-5(1H)-yl)methanone 
• 479232-57-0 (2S)-N-[[4-[(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide 
• 335155-20-9 1-(4-Cyano-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine 
• 128069-80-7 2-(4-Cyano-3-methylphenyl)-5,6,7,8-tetrahydro-4H-thiazolo[5,4-b]azepine hydrochloride 
• 384831-95-2 1-(4-Cyano-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine 
• 384831-99-6 1-(4-Cyano-3-methylbenzoyl)-5-(3-pyridyl)methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine 
• 384832-23-9 1-(4-Cyano-3-methylbenzoyl)-5-ethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine 
• 384832-29-5 5-(4-Cyano-3-methylbenzoyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine 
• 1085938-52-8 C₂₇H₂₄N₆O₃ 

Relevant articles and documents

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