Trimethylacetonitrile

Base Information Edit

Chemical Name:Trimethylacetonitrile
CAS No.:630-18-2
Deprecated CAS:1800084-88-1
Molecular Formula:C5H9 N
Molecular Weight:83.1332
Hs Code.:29269090
European Community (EC) Number:211-133-0
NSC Number:890
UNII:AQD7ZXJ3PR
DSSTox Substance ID:DTXSID7060887
Nikkaji Number:J6.890J
Wikipedia:Pivalonitrile
Wikidata:Q7199624
Mol file:630-18-2.mol

Synonyms:TRIMETHYLACETONITRILE;Pivalonitrile;630-18-2;2,2-Dimethylpropanenitrile;tert-Butyl cyanide;Propanenitrile, 2,2-dimethyl-;2,2-Dimethylpropionitrile;tert-Butylnitrile;2-Cyano-2-methylpropane;Trimethyl acetonitrile;2,2-DIMETHYLPROPANENITRIL;NSC 890;AQD7ZXJ3PR;NSC-890;EINECS 211-133-0;AI3-33242;Neopentanenitrile;NSC890;t-BuCN;MFCD00001847;UNII-AQD7ZXJ3PR;Propanenitrile,2-dimethyl-;2,2-Dimethyl-propionitrile;Trimethylacetonitrile, 98%;2,2-dimethylpropane nitrile;2,2-Dimethyl-propanenitrile;2,2,2-trimethyl acetonitrile;(CH3)3C-CN;DTXSID7060887;AKOS009145687;CS-0017904;P0463;EN300-28910;Z-1020;Q7199624;F0001-1709;Z278179882

Suppliers and Price of Trimethylacetonitrile

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
Pivalonitrile >98.0%(GC)
500mL
$ 507.00

TCI Chemical
Pivalonitrile >98.0%(GC)
100mL
$ 161.00

TCI Chemical
Pivalonitrile >98.0%(GC)
25mL
$ 57.00

SynQuest Laboratories
2,2-Dimethylpropanenitrile 98%
5 g
$ 23.00

SynQuest Laboratories
2,2-Dimethylpropanenitrile 98%
25 g
$ 88.00

SynQuest Laboratories
2,2-Dimethylpropanenitrile 98%
100 g
$ 224.00

Sigma-Aldrich
Trimethylacetonitrile 98%
100g
$ 274.00

Sigma-Aldrich
Trimethylacetonitrile 98%
25g
$ 91.00

Oakwood
Pivalonitrile
25g
$ 32.00

Oakwood
Pivalonitrile
5g
$ 25.00

Total 75 raw suppliers

Chemical Property of Trimethylacetonitrile Edit

Chemical Property:

Vapor Pressure:29.5mmHg at 25°C
Melting Point:15-16 °C (lit.)
Refractive Index:n20/D 1.377(lit.)
Boiling Point:105-106°C(lit.)
Flash Point:40°F
Density:0.752g/mLat 25°C(lit.)
Storage Temp.:2-8°C
Water Solubility.:Miscible with ethanol, acetone and toluene. Slightly miscible with water.
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:83.073499291
Heavy Atom Count:6
Complexity:77.8

Purity/Quality:

99.0% min ^*data from raw suppliers

Pivalonitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): FT
Hazard Codes:F,T,Xi
Statements: 11-23/24/25-36
Safety Statements: 16-36/37/39-45-26-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:CC(C)(C)C#N
Uses Trimethylacetonitrile used as a solvent and as a labile ligand in coordination chemistry. It is also used as an intermediate in organic synthesis. It is used in the presence of titanium(II) chloride and zinc to undergoes reductive coupling reaction of aromatic and aliphatic ketones including acyclic aliphatic ketones to give the corresponding pinacols.

Technology Process of Trimethylacetonitrile

There total 64 articles about Trimethylacetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

: 630-19-3
pivalaldehyde

: 630-18-2
tert-butyl isocyanide

Guidance literature:: With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; N,N-dimethyl-formamide; at 100 ℃;
DOI:10.1055/s-0029-1218388