117-57-7

Basic information

• Product Name: 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid
• Synonyms: 3-hydroxy-2-methyl-4-quinolinecarboxylicaci;3-Hydroxyquinaldine-4-Carboxylic;3-Hydroxy-2-Methyl-4-Quinolincarboxylic Acid;3-Hydroxy-2-methyl cinchoninic acid;3-Hydroxy-4-carboxyquinaldine;Oxyquinaldinecarboxylic acid;3-Hydroxy-2-methyl-4-chinolincarbonsure;2-Methyl-3-hydroxy-4-carboxyquinoline
• CAS NO: 117-57-7
• Molecular Formula: C₁₁H₉NO₃
• Molecular Weight: 203.19
• EINECS: 204-198-1
• Product Categories: Intermediates of Dyes and Pigments;Quinoline&Isoquinoline;Building Blocks;Heterocyclic Building Blocks;Quinolines
• Mol File: 117-57-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 235 °C (dec.)(lit.)
• Boiling Point: 341.49°C (rough estimate)
• Flash Point: 252 °C
• Appearance: yellow to green powder.
• Density: 1.2621 (rough estimate)
• Vapor Pressure: 3.91E-06mmHg at 25°C
• Refractive Index: 1.4950 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: 0.04 g/L (20°C)
• PKA: 0.74±0.10(Predicted)
• Water Solubility: 0.04 g/L (20 ºC)
• CAS DataBase Reference: 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid(117-57-7)
• EPA Substance Registry System: 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid(117-57-7)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39-36/37/39-22
• WGK Germany: 1
• Hazardous Substances Data: 117-57-7(Hazardous Substances Data)

Usage

Chemical Properties

yellow to greenish powder

Uses

3-Hydroxy-2-methyl-4-quinolinecarboxylic acid may be used in chemical synthesis studies.

Flammability and Explosibility

Notclassified

InChI:InChI=1/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)/p-1

Upstream product

• 64784-13-0 indigo 
• 484-38-8 isatic acid 
• 78-95-5 chloroacetone 
• 91-56-5 indole-2,3-dione 
• 592-20-1 Acetol acetate 
• 811432-11-8 3-ethoxy-2-methyl-quinoline-4-carboxylic acid 
• 598-31-2 1-bromoacetone 

Downstream Products

• 13235-12-6 4-bromo-2-methylquinolin-3-ol 
• 34185-34-7 3'-hydroxybenzo[b]quinophthalone 
• 40538-23-6 2-(3-Hydroxy-quinolin-2-yl)-1,3-dioxo-indan-5-carboxylic acid 
• 854860-19-8 3-methoxy-2-methyl-quinoline-4-carboxylic acid methyl ester 
• 103161-52-0 (2-methyl-[3]quinolyl)-phenyl-amine 
• 7576-65-0 2-(3-hydroxy-2-quinolinyl)-1H-indene-1,3(2H)-dione 
• 17739-41-2 3-hydroxy-2-(3-hydroxy-2-quinolyl)-1-oxo-1H-indene-6-carboxylic acid 

Relevant articles and documents

Preparation, photoluminescence, semiconductor properties, and theoretical calculations for a novel zinc zero-dimensional structure complex

The complex [Zn(CH3OH)4(MCA)2] (3-hydroxy-2-methylquinoline-4-carboxylic acid) has been synthesized through hydrothermal reactions and characterized by single-crystal X-ray diffraction. Its solid-state photoluminescence spectrum shows an emission in the blue region, which is assigned to ligand-to-metal charge transfer on the basis of time-dependent density functional theory calculations. Solid-state diffuse reflectance measurements show the existence of a narrow optical band gap of 1.73 eV.

Hydrothermal preparation, crystal structure, a series of properties and theoretical calculation of a novel cadmium compound

A novel cadmium compound [CdL(bipy)2]·6H2O was synthesized by hydrothermal method, and its crystal structure was determined by single-crystal X-ray diffraction. The title compound crystallized in the monoclinic system of the C2/c space group, and existed as an isolated monocyte structure. The strong π…π stacking interactions produces one-dimensional (1-D) chains and a three-dimensional (3-D) supramolecular structure is formed by a large number of intermolecular hydrogen bonds. A series of properties of the title compound were tested by solid state photoluminescence, CIE analysis and solid-state diffuse reflectance, and the charge transfer of the title compound was studied by time-dependent density functional theory.

Hydrothermal preparation, crystal structure, photoluminescence and UV-visible diffuse reflectance spectroscopic properties of a novel mononuclear zinc complex

A novel mononuclear zinc complex [ZnL(Phen)(H2O)] · H2O containing the mixed ligands of Phen (Phen = 1,10-phenanthroline) and 3-hydroxy-2-methylquinoline-4-carboxylic acid (HL) was prepared by hydrothermal synthesis and its crystal structure was characterized by X-ray single-crystal diffraction method. The title complex crystallizes in the orthorhombic systems and forms monomeric units. The molecules in the title complex are connected through the interactions of hydrogen-bonding and p···p interactions to give a three-dimensional (3D) supramolecular structure. The fluorescence result discovers a wide emission band in the violet blue region. Time-dependent density functional theory (TDDFT) calculations reveal that this emission can be attributed to ligand-to-ligand charge transfer (LLCT). Solid-state diffuse reflectance shows there is a wide optical band gap.