Pivalonitrile

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Pivalonitrile
Skeletal formula of pivalonitrile
Ball and stick model of pivalonitrile
Sample of pivalonitrile in a vial
Identifiers
CAS number 630-18-2 YesY
PubChem 12416
ChemSpider 11909 YesY
EC number 211-133-0
UN number 1993
Beilstein Reference 1361449
Jmol-3D images Image 1
Properties
Molecular formula C5H9N
Molar mass 83.13 g mol−1
Appearance Colourless liquid
Density 752 mg mL−1
Melting point 15.50 °C; 59.90 °F; 288.65 K
Boiling point 67 to 127 °C; 152 to 260 °F; 340 to 400 K
Refractive index (nD) 1.377
Thermochemistry
Specific
heat capacity
C
179.37 J K−1 mol−1
Std molar
entropy
So298
232.00 J K−1 mol−1
Std enthalpy of
formation
ΔfHo298
−39.9 kJ mol−1
Std enthalpy of
combustion
ΔcHo298
−3.2146–−3.2132 MJ mol−1
Hazards
GHS pictograms The flame pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) The skull-and-crossbones pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
GHS signal word DANGER
GHS hazard statements H225, H301, H311, H331
GHS precautionary statements P210, P261, P280, P301+310, P311
EU classification Highly Flammable F Toxic T
R-phrases R11, R23/24/25
S-phrases S16, S36/37/39, S45
Flash point 4 °C (39 °F; 277 K)
Related compounds
Related alkanenitriles
Related compounds DBNPA
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
 YesY (verify) (what is: YesY/N?)
Infobox references

Pivalonitrile is a nitrile with the semi-structural formula (CH3)3CCN, abbreviated t-BuCN. This aliphatic organic compound is a clear, colourless liquid that is used as a solvent and as a labile ligand in coordination chemistry. Pivalonitrile is isomeric with tert-butyl isocyanide.

References[edit]

  1. ^ "Pivalonitrile - Compound Summary". PubChem Compound. USA: National Center for Biotechnology Information. 26 March 2005. Identification. Retrieved 8 June 2012.