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
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) |
 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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