2-Amino-1H-imidazole-4,5-dicarbonitrile

Base Information

• Chemical Name: 2-Amino-1H-imidazole-4,5-dicarbonitrile
• CAS No.: 40953-34-2
• Molecular Formula: C5H3N5
• Molecular Weight: 133.112
• Hs Code.: 2933290090
• European Community (EC) Number: 255-163-2
• DSSTox Substance ID: DTXSID2068268
• Nikkaji Number: J39.217K
• Wikidata: Q72468559
• Mol file: 40953-34-2.mol

Synonyms:40953-34-2;2-Amino-1H-imidazole-4,5-dicarbonitrile;4,5-dicyano-2-aminoimidazole;2-Amino-4,5-imidazoledicarbonitrile;2-Amino-4,5-dicyanoimidazole;2-Amino-4,5-dicyano-1H-imidazole;1H-Imidazole-4,5-dicarbonitrile, 2-amino-;EINECS 255-163-2;MFCD00129982;2-aminoimidazole-4,5-dicarbonitrile;SCHEMBL404890;DTXSID2068268;AMY25670;AKOS000120234;CS-W011083;SB66340;SY013007;TS-00022;2-Amino-1H-Imidazole-4,5-Dicarboni Trile;2-Amino-4,5-imidazoledicarbonitrile, 97%;2-Amino-1H-imidazole-4,5-dicarbonitrile #;A1292;FT-0611086;EN300-21296;F15433;A825362;W-106328;F0001-1157

Chemical Property of 2-Amino-1H-imidazole-4,5-dicarbonitrile

Chemical Property:

• Appearance/Colour: white or similar to white solid
• Vapor Pressure: 8.95E-14mmHg at 25°C
• Melting Point: 270 °C (dec.)(lit.)
• Refractive Index: 1.647
• Boiling Point: 587.3 °C at 760 mmHg
• PKA: 6.19±0.10(Predicted)
• Flash Point: 309 °C
• PSA: 102.28000
• Density: 1.54 g/cm³
• LogP: 0.31646
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Practically insoluble in water
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 133.03884512
• Heavy Atom Count: 10
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4,5-dicyanoimidazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C1=C(N=C(N1)N)C#N
• Uses: 2-Amino-4,5-imidazoledicarbonitrile may be used in the fabrication of an organic electrical bistable device comprising of a thin metal layer embedded within the organic material. It may be used to fabricate the devices with the nominal layer structure of organic/metal-nanocluster/organic interposed between two electrodes by a vacuum evaporation method.

Technology Process of 2-Amino-1H-imidazole-4,5-dicarbonitrile

There total 3 articles about 2-Amino-1H-imidazole-4,5-dicarbonitrile 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: 44.0%

bromocyane (506-68-3) + (Z)-2,3-diamino-2-butenedinitrile → 2-amino-1H-imidazole-4,5-dicarbonitrile (40953-34-2)

Guidance literature:

In methanol; water; for 39h; Heating;

DOI:10.1002/hlca.19850680534

Reference yield:

pyrographite (7440-44-0) + diaminomaleonitrile (1187-42-4) + cyanogen chloride (506-77-4) → 2-amino-1H-imidazole-4,5-dicarbonitrile (40953-34-2)

Guidance literature:

With sodium acetate; In tetrahydrofuran; sodium hydrogencarbonate;

Reference yield:

→ 2-amino-1H-imidazole-4,5-dicarbonitrile (40953-34-2)

Guidance literature:

Diaminomaleonitril + Cyanogenchlorid.;

DOI:10.1021/jo00930a004

upstream raw materials:

bromocyane

pyrographite

diaminomaleonitrile

cyanogen chloride

Downstream raw materials:

2-(2,5-dimethyl-phenyl)-1H-imidazole-4,5-dicarbonitrile

2-Phenyl-4,5-dicyanoimidazole

2-amino-5-cyano-1-methyl-4-imidazolecarboxylic acid

2-amino-4-cyano-1-methyl-5-imidazolecarboxylic acid