5156-01-4

Basic information

• Product Name: 2-Methyl-1,4-benzenedicarboxylic acid
• Synonyms: 2-methylterephthalic acid;2-METHYL-1,4-BENZENEDICARBOXYLIC ACID;2,5-Toluenedicarboxylic acid;5-Methylterephthalic acid;1,4-Benzenedicarboxylic acid, 2-methyl-;Methylterephthalic acid;Nsc20693;Terephthalic acid, methyl-
• CAS NO: 5156-01-4
• Molecular Formula: C₉H₈O₄
• Molecular Weight: 180.16
• Mol File: 5156-01-4.mol
• Article Data: 20

Chemical Properties

• Melting Point: 323-325 °C
• Boiling Point: 388.2°C at 760 mmHg
• Flash Point: 202.8℃
• Appearance: /
• Density: 1.377
• Vapor Pressure: 4.92E-15mmHg at 25°C
• Refractive Index: 1.611
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.38±0.25(Predicted)
• CAS DataBase Reference: 2-Methyl-1,4-benzenedicarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-1,4-benzenedicarboxylic acid(5156-01-4)
• EPA Substance Registry System: 2-Methyl-1,4-benzenedicarboxylic acid(5156-01-4)

Safety Data

• Hazardous Substances Data: 5156-01-4(Hazardous Substances Data)

Usage

General Description

2-Methyl-1,4-benzenedicarboxylic acid, also known as isophthalic acid (IPA), is a colorless crystalline organic compound used largely in the manufacturing of polyethylene terephthalate (PET) resin and as an important intermediate in the production of paint, plasticizers, and unsaturated polyester resins. Its chemical formula is C9H8O4 and it features a carboxyl group on both the 1 and 4 positions of the benzene ring with a methyl group on the 2 position. It possesses good resistance to heat, light, and weathering, contributing to its extensive use in industrial applications. Because of its specific molecular structure, it leads to good chemical resistance, high dimensional stability, and clear color when it is polymerized.

InChI:InChI=1/C21H17ClF3N3O2S/c1-12(19(29)26-14-8-9-17(30-2)15(22)10-14)31-20-27-16(13-6-4-3-5-7-13)11-18(28-20)21(23,24)25/h3-12H,1-2H3,(H,26,29)

Upstream product

• 55984-93-5 2-methyl-1,4-dicyanobenzene 
• 4395-88-4 4-isopropyl-2-methyl-benzaldehyde 
• 611-01-8 2,4-dimethyl-benzoic acid 
• 615-59-8 1,4-dibromo-2-methylbenzene 
• 124-38-9 carbon dioxide 
• 95-63-6 1,2,4-Trimethylbenzene 
• 75838-38-9 1,4-diiodo-2-methylbenzene 
• 19398-61-9 2,5-dichlorotoluene 
• 99-04-7 m-Toluic acid 
• 118-90-1 ortho-methylbenzoic acid 
• 583-70-0 1-bromo-2,4-dimethylbenzene 
• 2486-70-6 4-amino 3-methylbenzoic acid 
• 21789-36-6 2,4-dimethylbenzonitrile 
• 855895-89-5 1-heptyl-4-isopentyl-2-methyl-benzene 

Downstream Products

• 386252-93-3 2-methylterephthalic acid dipentafluorophenylester 
• 96259-67-5 diethyl 2-methyl-1,4-cyclohexanedicarboxylate 
• 69526-90-5 2-formylterephthalic acid 
• 57834-13-6 2-bromomethyl-1,4-terephthalic acid dimethyl ester 
• 3217-44-5 2-methyl-terephthaloyl dichloride 
• 14186-60-8 2-Methyl-1,4-benzoldicarbonsaeure dimethylester 

Relevant articles and documents

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An: In situ approach to functionalize metal-organic frameworks with tertiary aliphatic amino groups

Metal-catalyzed reductive amination of formyl-containing linkers with N,N-dialkylformamide solvents is concomitant with the solvothermal coordination assembly, leading to novel MOFs functionalized with tertiary aliphatic amino groups. This illustrates a novel one-pot strategy to functionalize MOFs through in situ organic transformation. The UiO-66 MOFs partially functionalized with the amino groups are highly active heterogeneous catalysts for Knoevenagel condensation.

Tandem one-pot CO2 reduction by PMHS and silyloxycarbonylation of aryl/vinyl halides to access carboxylic acids

The present study discloses the synthesis of aryl/vinyl carboxylic acids from Csp2-bound halides (Cl, Br, I) in a carbonylative path by using silyl formate (from CO2 and hydrosilane) as an instant CO-surrogate. Hydrosilane provides hydride for reduction and its oxidation product silanol serves as a coupling partner. Mono-, di-, and tri-carboxylic acids were obtained from the corresponding aryl/vinyl halides.

Cerium-based metal organic frameworks with UiO-66 architecture: Synthesis, properties and redox catalytic activity

A series of nine Ce(IV)-based metal organic frameworks with the UiO-66 structure containing linker molecules of different sizes and functionalities were obtained under mild synthesis conditions and short reaction times. Thermal and chemical stabilities were determined and a Ce-UiO-66-BDC/TEMPO system was successfully employed for the aerobic oxidation of benzyl alcohol.