3-Oxobutanenitrile Structure

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

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302-H312-H315-H319-H332-H335
Precautionary statements P261-P280-P304+P340-P305+P351+P338-P405-P501a
RIDADR  3276
HazardClass  6.1
PackingGroup  Ⅲ
HS Code  2926907090
NFPA 704:
1
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3-Oxobutanenitrile Chemical Properties,Usage,Production

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3-Oxobutanenitrile Spectrum