Pivaloylacetonitrile
Synonym(s):Pivaloylacetonitrile
- CAS NO.：59997-51-2
- Empirical Formula: C7H11NO
- Molecular Weight: 125.17
- MDL number: MFCD00010208
- EINECS: 262-017-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:57
What is Pivaloylacetonitrile?
Chemical properties
white to cream crystals or crystalline powder
The Uses of Pivaloylacetonitrile
Trimethylacetylacetonitrile is a useful intermediate. 4,4-Dimethyl-3-oxopentanenitrile has been used in the preparation of 4,4-dimethyl-3-oxo-2-benzylpentanenitrile, 4,4-dimethyl-3-oxo-2-(4-hydroxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-methoxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-fluorobenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(3,4-methylenedioxybenzyl)pentanenitrile, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-phenylurea.
What are the applications of Application
4,4-Dimethyl-3-oxopentanenitrile is a useful intermediate
Properties of Pivaloylacetonitrile
| Melting point: | 66-69 °C(lit.) |
| Boiling point: | 125-126 °C22 mm Hg(lit.) |
| Density | 1.0459 (rough estimate) |
| refractive index | 1.4693 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Crystals or Crystalline Powder |
| pka | 10.25±0.10(Predicted) |
| color | White to cream |
| Water Solubility | Insoluble in water. |
| BRN | 1746674 |
| CAS DataBase Reference | 59997-51-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 4,4-Dimethyl-3-oxopentanenitrile(59997-51-2) |
| EPA Substance Registry System | Pentanenitrile, 4,4-dimethyl-3-oxo- (59997-51-2) |
Safety information for Pivaloylacetonitrile
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P321:Specific treatment (see … on this label). P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P405:Store locked up. |
Computed Descriptors for Pivaloylacetonitrile
Pivaloylacetonitrile manufacturer
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product: 1-Cyanopinacolone 59997-51-2 98%
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