Pivaloylacetonitrile
Properties
- Molecular formula
- C7H11NO
- Molar mass
- 125.17 g/mol
- Exact mass
- 125.0841 Da
- Melting point
- 68 °C
- Boiling point
- 125–126 °C (at 22 Torr)
- logP
- 1.52Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed92.9% of notifiers
- H312 Harmful in contact with skin47.5% of notifiers
- H332 Harmful if inhaled43.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects37.4% of notifiers
Aggregated from 99 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
59997-51-2SMILES
CC(C)(C)C(=O)CC#NInChIKey
MXZMACXOMZKYHJ-UHFFFAOYSA-NInChI
InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Pentanenitrile, 4,4-dimethyl-3-oxo-
- Valeronitrile, 4,4-dimethyl-3-oxo-
- 4,4-Dimethyl-3-oxopentanenitrile
- Pyvaolylacetonitrile
- 1-Cyano-3,3-dimethyl-2-butanone
- Cyanomethyl tert-butyl ketone
Work with Pivaloylacetonitrile
Similar compounds
2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-448 % similar
tert-Butyl cyanoacetate1116-98-947 % similar
1-Chloropinacolone13547-70-142 % similar
Bromopinacolone5469-26-142 % similar
1-Amino-3,3-dimethylbutan-2-one82962-91-242 % similar
Methyl cyanoacetate105-34-041 % similar
2-Cyano-N,N-dimethylacetamide7391-40-441 % similar
Cyanoacetic acid372-09-841 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds