4388-92-5

Basic information

• Product Name: 3-OXOHEXANENITRILE
• Synonyms: 3-OXOHEXANENITRILE
• CAS NO: 4388-92-5
• Molecular Formula: C₆H₉NO
• Molecular Weight: 111.14
• Mol File: 4388-92-5.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 68°C/0.5mm
• Flash Point: 55.5°C
• Appearance: /
• Density: 0.941g/cm³
• Vapor Pressure: 1.644mmHg at 25°C
• Refractive Index: 1.419
• PKA: 10.31±0.10(Predicted)
• CAS DataBase Reference: 3-OXOHEXANENITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-OXOHEXANENITRILE(4388-92-5)
• EPA Substance Registry System: 3-OXOHEXANENITRILE(4388-92-5)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 4388-92-5(Hazardous Substances Data)

Usage

General Description

3-OXOHEXANENITRILE, also known as 3-oxocyanohexane, is a chemical compound with the molecular formula C6H9NO. It is a colorless to pale yellow liquid with a strong, fruity odor. 3-OXOHEXANENITRILE is used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. It is also used as a flavor and fragrance ingredient in perfumes and cosmetics. The compound is considered to be moderately toxic, with potential health effects including skin and eye irritation, and respiratory and digestive tract irritation if ingested or inhaled. It is important to handle 3-OXOHEXANENITRILE with caution and follow safety guidelines when working with this compound.

InChI:InChI=1/C6H9NO/c1-2-3-6(8)4-5-7/h2-4H2,1H3

Upstream product

• 105-54-4 butanoic acid ethyl ester 
• 75-05-8 acetonitrile 
• 90643-63-3 2-cyano-3-oxo-hexanoic acid ethyl ester 
• 19265-24-8 1-chloropentane-2-one 
• 7732-18-5 water 
• 151-50-8 potassium cyanide 
• 623-42-7 butanoic acid methyl ester 
• 372-09-8 cyanoacetic acid 
• 141-75-3 butyryl chloride 

Downstream Products

• 747411-47-8 3-propylisoxazol-5-amine 
• 56367-26-1 5-propyl-3-amino-1H-pyrazole 
• 1280199-34-9 (4R,6S)-6-hydroxy-4-phenyl-2-propyl-6-(trichloromethyl)-5,6-dihydro-4H-pyran-3-carbonitrile 
• 851579-03-8 methyl 5-{[(tert-butoxycarbonyl)amino]methyl}-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylate 
• 851579-01-6 methyl 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylate 
• 851579-00-5 methyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-propylpyridine-3-carboxylate 
• 851578-99-9 methyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-propyl-1,4-dihydropyridine-3-carboxylate 
• 851579-04-9 5-{[(tert-butoxycarbonyl)amino]methyl}-2-methyl-4-(4-methylphenyl)-6-propylnicotinic acid 
• 138134-04-0 1-<5-amino-1-(2,4,6-trichlorophenyl)pyrazol-4-yl>butan-1-one 
• 138134-15-3 5-Propyl-1-(2,4,6-trichloro-phenyl)-1H-pyrazole-4-carbonitrile 
• 3249-68-1 ethyl butyroyl acetate 

Relevant articles and documents

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Identification of TRD-35 as Potent and Selective DRAK2 Inhibitor

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Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors

The present invention relates to the pyrazoloquinazolinone and pyrroloquinazolinone derivatives of the general formula (I), as well as pharmaceutical compositions containing them, and their use in the treatment and/or prophylaxis of conditions associated with altered glutamatergic signalling and/or functions, and/or conditions which can be affected by alteration of glutamate level or signalling in mammals, in particular their use in the treatment and/or prophylaxis of acute and chronic neurological and/or psychiatric disorders.