3-Oxobutanenitrile Chemical Properties

Boiling point:

92-94℃/10mm

Density 

0.976±0.06 g/cm3(Predicted)

refractive index 

1.4285

storage temp. 

Inert atmosphere,Store in freezer, under -20°C

pka

10.31±0.10(Predicted)

form 

Liquid

color 

Colorless to pale yellow

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3

InChIKey

OPXYNEYEDHAXOM-UHFFFAOYSA-N

SMILES

C(#N)CC(=O)C

CAS DataBase Reference

2469-99-0

Safety Information

RIDADR 

3276

HazardClass 

6.1

PackingGroup 

Ⅲ

HS Code 

2926907090

3-Oxobutanenitrile Usage And Synthesis

Chemical Properties

Acetylacetonitrile [2469-99-0], b-ketobutyronitrile, 3-oxo-butanenitrile, H3CCOCCH2 CN, Mr 83.09, bp 120 – 125℃ (101.3 kPa), can be obtained by hydrolysis of b-aminocrotononitrile. A potential application is the synthesis of 3-amino-5-methylisoxazole, which is an intermediate for various drugs.

Uses

3-?Oxobutanenitrile is a reagent used in the synthesis of pyrazolopyrimidinones as well as in the preparation of inhibitors of phosphopantetheine

3-Oxobutanenitrile(2469-99-0)Related Product Information

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