Pivalonitrile
Properties
- Molecular formula
- C5H9N
- Molar mass
- 83.13 g/mol
- Exact mass
- 83.0735 Da
- Melting point
- 15 °C
- Boiling point
- 106.1 °C
- logP
- 1.56Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed88% of notifiers
- H302 Harmful if swallowed12% of notifiers
- H311 Toxic in contact with skin88% of notifiers
- H312 Harmful in contact with skin10% of notifiers
- H315 Causes skin irritation12% of notifiers
- H319 Causes serious eye irritation12% of notifiers
- H331 Toxic if inhaled88% of notifiers
- H332 Harmful if inhaled10% of notifiers
- H335 May cause respiratory irritation10% of notifiers
Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
630-18-2SMILES
CC(C)(C)C#NInChIKey
JAMNHZBIQDNHMM-UHFFFAOYSA-NInChI
InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Propanenitrile, 2,2-dimethyl-
- 2,2-Dimethylpropanenitrile
- tert-Butyl cyanide
- Trimethylacetonitrile
- 2,2-Dimethylpropionitrile
- tert-Butylnitrile
- 2-Cyano-2-methylpropane
- Neopentanenitrile
- NSC 890
Work with Pivalonitrile
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Amino-2-methylpropanenitrile19355-69-242 % similar
Acetone cyanohydrin75-86-542 % similar
Azobisisobutyronitrile78-67-142 % similar
2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-838 % similar
2,2-Dichloropropanedinitrile13063-43-933 % similar
2,2'-Azobis(2-methylbutyronitrile)13472-08-733 % similar
2-Amino-2,3-dimethylbutanenitrile13893-53-333 % similar
Oxiranetetracarbonitrile3189-43-333 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.