Acetamide, 2-cyano-2-nitro-

Base Information

• Chemical Name: Acetamide, 2-cyano-2-nitro-
• CAS No.: 475-08-1
• Molecular Formula: C3H3 N3 O3
• Molecular Weight: 129.075
• DSSTox Substance ID: DTXSID70487223
• Nikkaji Number: J95.448I
• Mol file: 475-08-1.mol

Synonyms:475-08-1;Acetamide, 2-cyano-2-nitro-;2-Carbamoyl-2-nitroacetonitrile;Nitrocyanacetamid;SCHEMBL6844353;DTXSID70487223;AKOS006342720

Chemical Property of Acetamide, 2-cyano-2-nitro-

Chemical Property:

• Melting Point: 142.5°C (rough estimate)
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 239.08°C (rough estimate)
• PSA: 113.69000
• Density: 1.7664 (rough estimate)
• LogP: 0.31348
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 129.01744097
• Heavy Atom Count: 9
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: A heat;sensitive explosive. When heated to decomposition it emits toxic fum"> x and CN−. See also NITRILES." target="_blank">A heat;sensitive explosive. When heated to decomposition it emits toxic fum

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetamide, 2-cyano-2-nitro-

There total 11 articles about Acetamide, 2-cyano-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:

2-oxy-furazan-3,4-dicarboxylic acid diamide (56873-41-7) + water (7732-18-5) → cyano-nitro-acetic acid amide (475-08-1) + urea (57-13-6)

Guidance literature:

Reference yield:

mercury fulminate (92114-96-0,20820-45-5,42240-20-0,628-86-4) → cyano-nitro-acetic acid amide (475-08-1)

Guidance literature:

With ammonium chloride; water;

Reference yield:

2-cyano-2-oximinoacetamide (3849-20-5) → cyano-nitro-acetic acid amide (475-08-1)

Guidance literature:

With potassium permanganate;

DOI:10.1021/jo01061a044

upstream raw materials:

2-oxy-furazan-3,4-dicarboxylic acid diamide

nitromalonaldehyde (E,E)-dioxime

mercury fulminate

2-cyano-2-oximinoacetamide

Downstream raw materials:

trinitroacetonitrile

hydroxylamine

ammonia

potassium oxalate