31301-46-9

Basic information

• Product Name: 3,5-DIMETHYL-4-ISOXAZOLECARBONITRILE
• Synonyms: AKOS PAO-1571;3,5-DIMETHYL-4-ISOXAZOLECARBONITRILE;3,5-Dimethylisoxazole-4-carbonitrile;4-Cyano-3,5-dimethylisoxazole
• CAS NO: 31301-46-9
• Molecular Formula: C6H6N2O
• Molecular Weight: 122.12
• Mol File: 31301-46-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 46 °C
• Boiling Point: 248.7 °C at 760 mmHg
• Flash Point: 104.2 °C
• Appearance: /
• Density: 1.13 g/cm³
• Vapor Pressure: 0.0239mmHg at 25°C
• Refractive Index: 1.487
• Storage Temp.: 2-8°C
• PKA: -3.32±0.28(Predicted)
• CAS DataBase Reference: 3,5-DIMETHYL-4-ISOXAZOLECARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DIMETHYL-4-ISOXAZOLECARBONITRILE(31301-46-9)
• EPA Substance Registry System: 3,5-DIMETHYL-4-ISOXAZOLECARBONITRILE(31301-46-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 31301-46-9(Hazardous Substances Data)

Usage

General Description

3,5-Dimethyl-4-isoxazolecarbonitrile is a chemical compound with the molecular formula C6H6N2O. It is a white solid that is classified as an isoxazole derivative, which is a five-membered heterocyclic ring containing one nitrogen and one oxygen atom. 3,5-DIMETHYL-4-ISOXAZOLECARBONITRILE is mainly used in the pharmaceutical industry as a building block for the synthesis of various drugs and pharmaceuticals. It is also known for its potential as a herbicide and insecticide. Additionally, 3,5-Dimethyl-4-isoxazolecarbonitrile has been found to exhibit antimicrobial and antifungal properties, making it a versatile and important chemical in various industrial applications.

InChI:InChI=1/C6H6N2O/c1-4-6(3-7)5(2)9-8-4/h1-2H3

Upstream product

• 31301-45-8 3,5-dimethylisoxazole-4-carbonyl chloride 
• 6497-21-8 1-(5-methyl-1,2-oxazol-4-yl)ethanone 
• 6081-80-7 2-acetyl-3-phenylamino-2-butenenitrile 
• 108086-95-9 2-acetyl-3-methylamino-2-butenenitrile 
• 74356-30-2 3,5-dimethylisoxazole-4-carboxamide 

Downstream Products

• 35166-20-2 1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone 
• 117525-33-4 1-(3,5-Dimethyl-isoxazol-4-yl)-propan-1-one 
• 91084-67-2 5-Amino-4-ethyl-3-methylisoxazole 
• 117525-34-5 4-(1-hydroxy-1-methyl)ethyl-3,5-dimethylisoxazole 

Relevant articles and documents

Base-induced ring cleavage of 4-functionalized-3-unsubstituted isoxazoles. Synthesis of 5-aminoazoles and 4-cyanoazoles [1]

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