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HomeProduct name list3-Oxobutanenitrile

3-Oxobutanenitrile

  • CAS NO.:2469-99-0
  • Empirical Formula: C4H5NO
  • Molecular Weight: 83.09
  • MDL number: MFCD05861381
  • EINECS: 219-590-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-11-08 14:36:47
3-Oxobutanenitrile Structural

What is 3-Oxobutanenitrile?

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.

The Uses of 3-Oxobutanenitrile

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

Properties of 3-Oxobutanenitrile

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
form  Liquid
pka 10.31±0.10(Predicted)
color  Colorless to pale yellow
Water Solubility  Slightly soluble in water.
CAS DataBase Reference 2469-99-0

Safety information for 3-Oxobutanenitrile

Signal word Danger
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 3-Oxobutanenitrile

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