| Identification | Back Directory | [Name]
3-Oxobutanenitrile | [CAS]
2469-99-0 | [Synonyms]
ACETOACETONITRILE
3-oxobutanenitrile
3-oxobutyronitrile
Butanenitrile, 3-oxo-
3-Oxobutanenitrile,96% | [EINECS(EC#)]
219-590-8 | [Molecular Formula]
C4H5NO | [MDL Number]
MFCD05861381 | [MOL File]
2469-99-0.mol | [Molecular Weight]
83.09 |
| Chemical Properties | Back Directory | [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. | [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 |
| Hazard Information | Back Directory | [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 |
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Jia Xing Isenchem Co.,Ltd
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