Pivalonitrile

Pivalonitrile

Names
IUPAC name 2,2-Dimethylpropanenitrile[1]
Other names tert-Butyl cyanide tert-Cyanobutane 2-Cyano-2-methylpropane Trimethylacetonitrile tert-Butylnitrile
Identifiers
CAS Number	630-18-2 Y
3D model (Jmol)	Interactive image
Beilstein Reference	1361449
ChemSpider	11909 Y
ECHA InfoCard	100.010.122
EC Number	211-133-0
PubChem	12416
UN number	1993
InChI InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3 Y Key: JAMNHZBIQDNHMM-UHFFFAOYSA-N Y
SMILES CC(C)(C)C#N
Properties
Chemical formula	C5H9N
Molar mass	83.13 g·mol−1
Appearance	Colourless liquid
Density	752 mg mL−1
Melting point	15 °C (59 °F; 288 K)
Boiling point	106 °C (223 °F; 379 K)
Refractive index (nD)	1.3774
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
GHS signal word	DANGER
GHS hazard statements	H225, H301, H311, H331
GHS precautionary statements	P210, P261, P280, P301+310, P311
EU classification (DSD)	F 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	Acetonitrile Aminoacetonitrile Glycolonitrile Cyanogen Propanenitrile Aminopropionitrile Malononitrile Acetone cyanohydrin Butyronitrile Succinonitrile Tetramethylsuccinonitrile
Related compounds	DBNPA
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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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