Propionitrile, 2-methyl-2-nitro-

Base Information

• Chemical Name: Propionitrile, 2-methyl-2-nitro-
• CAS No.: 18992-13-7
• Molecular Formula: C4H6N2O2
• Molecular Weight: 114.104
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90172422
• Nikkaji Number: J51.103J
• Wikidata: Q83042515
• Mol file: 18992-13-7.mol

Synonyms:Propionitrile, 2-methyl-2-nitro-;2-methyl-2-nitropropanenitrile;18992-13-7;USAF A-13564;alpha-Methyl-alpha-nitropropionitrile;Propionitrile, alpha-methyl-alpha-nitro-;2-cyano-2-nitro-propane;2-methyl-2-nitro-propionitrile;SCHEMBL3293996;DTXSID90172422;Propanenitrile, 2-methyl-2-nitro-;LS-124946

Chemical Property of Propionitrile, 2-methyl-2-nitro-

Chemical Property:

• Vapor Pressure: 0.392mmHg at 25°C
• Boiling Point: 196.8°Cat760mmHg
• Flash Point: 72.8°C
• PSA: 69.61000
• Density: 1.132g/cm³
• LogP: 1.08848
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 114.042927438
• Heavy Atom Count: 8
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#N)[N+](=O)[O-]

Technology Process of Propionitrile, 2-methyl-2-nitro-

There total 20 articles about Propionitrile, 2-methyl-2-nitro- 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: 67.3%

2-bromo-2-nitropropane (5447-97-2) + sodium cyanide (143-33-9,25596-52-5) → 2-cyano-2-nitropropane (18992-13-7)

Guidance literature:

With urea; In dimethyl sulfoxide; N,N-dimethyl-formamide; at -20 - 10 ℃; for 5h; Product distribution; other gem-substituted nitro compounds, also in the presence of inhibitors;

Reference yield: 67.0%

sodium cyanide (773837-37-9) + sodium 2-nitropropane (24163-39-1) → 2-cyano-2-nitropropane (18992-13-7)

Guidance literature:

With potassium hexacyanoferrate(III); In water;

DOI:10.1016/j.tet.2010.03.023

Reference yield: 47.0%

2-nitropropane (79-46-9) + sodium cyanide (143-33-9,25596-52-5) → 2-cyano-2-nitropropane (18992-13-7)

Guidance literature:

With sodium hydroxide; sodium persulfate; potassium hexacyanoferrate(III); In dichloromethane;

DOI:10.1021/jo00210a600

upstream raw materials:

2,2'-azobis(isobutyronitrile)

2-hydroxyamino-2-methylpropanenitrile

2-cyano-2-nitrosopropane

2,3-dimethyl-buta-1,3-diene

Downstream raw materials:

ethanedinitrile

α,α-dimethyl-β-nitroisovaleronitrile

2-Hexinnitril

1-(α-cyanoisopropyl)-1-nitrocyclohexane