7697-29-2

Basic information

• Product Name: 4-Chloro-3-methylbenzoic acid
• Synonyms: 4-CHLORO-3-METHYLBENZOIC ACID;4-Chloro-3-toluic acid;4-Chloro-3-Methyl;4-CHLORO-3-METHYLBENZOIC ACID / 4-CHLORO-M-TOLUIC ACID;4-Chloro-3-methylben;4-Chloro-m-toluic acid, 5-Carboxy-2-chlorotoluene;Benzoic acid,4-chloro-3-Methyl-;3-methyl-4-chlorobenzoic acid
• CAS NO: 7697-29-2
• Molecular Formula: C₈H₇ClO₂
• Molecular Weight: 170.59
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Organic acids;Acids & Esters;Chlorine Compounds
• Mol File: 7697-29-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 216 °C
• Boiling Point: 299 °C at 760 mmHg
• Flash Point: 134.6 °C
• Appearance: white or reddish crystal powder
• Density: 1.31 g/cm³
• Vapor Pressure: 0.000548mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.04±0.10(Predicted)
• BRN: 1936535
• CAS DataBase Reference: 4-Chloro-3-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-3-methylbenzoic acid(7697-29-2)
• EPA Substance Registry System: 4-Chloro-3-methylbenzoic acid(7697-29-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-37/38-36
• Safety Statements: 26-36/37/39-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 7697-29-2(Hazardous Substances Data)

Usage

Chemical Properties

White to light yellow crystal powder

Uses

4-Chloro-3-methylbenzoic Acid is used as a reactant in the preparation of tipifarnib analogs as cancer drugs agains chagas disease.

InChI:InChI=1/C8H7ClO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)

Upstream product

• 19482-16-7 4,4'-dichloro-3,3'-dimethyl-1,1'-biphenyl 
• 2486-70-6 4-amino 3-methylbenzoic acid 
• 103038-95-5 2-(4-chloro-3-methylphenyl)-1,2-propene 
• 3113-71-1 3-methyl-4-nitrobenzoic acid 
• 95-66-9 2,4-dimethylchlorobenzene 
• 42044-84-8 5-Chlor-2-methoxy-6-methyltropolon 
• 67-66-3 chloroform 
• 93-51-6 2-Methoxy-4-methylphenol 
• 37074-39-8 4-chloro-3-methylacetophenone 
• 101349-71-7 4-Chloro-3-methylbenzaldehyde 
• 15146-01-7 1-chloro-4-isopropyl-2-methyl-benzene 
• 74-11-3 para-chlorobenzoic acid 
• 74-88-4 methyl iodide 
• 598-30-1 sec.-butyllithium 

Downstream Products

• 21900-24-3 3-methyl-4-chloro benzoylchloride 
• 1416358-64-9 1-(4-chloro-3-methylphenyl)-3-phenylpropan-1-one 
• 1416358-65-0 1-(4-chloro-3-methylphenyl)-3-(p-tolyl)propan-1-one 
• 1352211-37-0 1-(4-chloro-3-methylphenyl)heptan-1-one 
• 1416358-59-2 2-benzyl-1-(4-chloro-3-methylphenyl)prop-2-en-1-one 
• 1416358-62-7 1-(4-chloro-3-methylphenyl)-2-(4-methylbenzyl)prop-2-en-1-one 
• 1416358-63-8 1-(4-chloro-3-methylphenyl)-2-methyleneheptan-1-one 
• 1416358-52-5 C₂₄H₂₂ClN₃O 
• 1416358-53-6 C₂₄H₂₈ClN₃O 
• 1416358-55-8 C₂₅H₂₄ClN₃O 
• 1416358-56-9 C₂₅H₃₀ClN₃O 
• 1416358-58-1 C₂₂H₃₂ClN₃O 
• 1599432-04-8 (E)-1-(4-(4-chloro-3-methylbenzoyl)piperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one 

Relevant articles and documents

INHIBITORS OF STEAROYL-COA DESATURASE

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

Photolyis of 2-Nitrodiphenylmethanes in Isopropanol and Acidified Aqueous Ethanol

2-Nitrodiphenylmethane (1a) on irradiation in isopropanol and acidified ethanol yields benzoic acids as the major product. 3-Phenyl-2,1-benzisoxazole (2a) and acridone (3a) are also formed, though in lower yields. 4,4'-Dichloro/bromo-5,5'-dimethyl-2-nitrodiphenylmethanes (1b, c) on similar irradiation yields 4-halo-3-methylbezoic acid (4) as the major product. 5-Methyl-4-halo-3-(4'-halo-3'-methylphenyl)-2,1-benzisoxazole (2b, c) and acridones (3b, c) are also formed.A plausible mechanism for the formation of various products in the photoreactions is discussed.