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Pivaloylacetonitrile

Pivaloylacetonitrile / CAS : 59997-51-2

Appearance White to cream. Crystals or Crystalline Powder UN 3439
HS 2926909090 DG Class 3
Synonyms 4,4-Dimethyl-3-Oxopentanenitrile; 4,4-Dimethyl-3-Oxovaleronitrile; 1-Cyano-3,3-Dimethylbutan-2-One; 4,4-Dimethyl-3-O E Nitrile
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Properties

Summary

Formula
C7H11NO
Molecular Mass
125.16800
Exact Mass
125.08400
PSA
40.86000
Logp
1.51528
IUPAC
4,4-dimethyl-3-oxopentanenitrile
SMILES
CC(C)(C)C(=O)CC#N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Agrochemicals > Pesticide Intermediates

Chemical and Physical Properties

Melting Point
66-69 °C(lit.)
Density
0.929 g/cm3
Boiling Point
125-126 °C22 mm Hg(lit.)
Flash Point
59.5ºC
Appearance
White to cream. Crystals or Crystalline Powder

Export information

HS Code
2926909090
Export Rebate
13%
UN No.
3439
DG-Class
3
Risk Code
R25
Safety Label
T

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