2,2-Dimethylpropanenitrile
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2,2-Dimethylpropanenitrile
structure -
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CAS No:
630-18-2
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Formula:
C5H9N
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Chemical Name:
2,2-Dimethylpropanenitrile
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Synonyms:
Propanenitrile,2,2-dimethyl-;Pivalonitrile;2,2-Dimethylpropanenitrile;tert-Butyl cyanide;Trimethylacetonitrile;2,2-Dimethylpropionitrile;tert-Butylnitrile;2-Cyano-2-methylpropane;Neopentanenitrile;NSC 890;1800084-88-1
- Categories:
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CAS No:
Characteristics
23.79000
1.55608
0.75
15 °C
106.1 °C
4ºC
1.377
Miscible with ethanol, acetone and toluene. Slightly miscible with water.
2-8ºC
34.46 mmHg
Safety Information
II
3
UN 1993
3
R11; R23/24/25
S16-S23
F; T
P210-P261-P280-P301 + P310-P311
H225-H301-H311-H331
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 48 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,2-Dimethylpropanenitrile Use and Manufacturing
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.
Propanenitrile, 2,2-dimethyl-: ACTIVE
Computed Properties
Molecular Weight:83.13
XLogP3:1.1
Hydrogen Bond Acceptor Count:1
Exact Mass:83.073499291
Monoisotopic Mass:83.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:77.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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