1H-benzimidazol-2-ylcyanamide

Base Information

• Chemical Name: 1H-benzimidazol-2-ylcyanamide
• CAS No.: 55864-37-4
• Molecular Formula: C8H6 N4
• Molecular Weight: 158.16004
• Hs Code.: 2933990090
• European Community (EC) Number: 654-097-5
• NSC Number: 86124
• DSSTox Substance ID: DTXSID60204461
• Wikidata: Q83077891
• Mol file: 55864-37-4.mol

Synonyms:1H-benzimidazol-2-ylcyanamide;55864-37-4;Cyanamide, 1H-benzimidazol-2-yl- (9CI);Cyanamide, 1H-benzimidazol-2-yl-;104145-05-3;Cyanamide, (1,3-dihydro-2H-benzimidazol-2-ylidene)- (9CI);NSC86124;2-cyanoaminobenzimidazole;AI3-52522;2-Benzimidazolecarbamonitrile;Oprea1_539841;(benzimidazol-2-yl)cyanamide;SCHEMBL9247170;1H-benzoimidazol-2-yl-cyanamide;DTXSID60204461;MFCD00159986;NSC 86124;NSC-86124;STK790033;AKOS002561167;Cyanamide,1H-benzimidazol-2-yl-(9ci);N-(1H-Benzo[d]imidazol-2-yl)cyanamide;[(1H-1,3-benzodiazol-2-yl)amino]formonitrile

Chemical Property of 1H-benzimidazol-2-ylcyanamide

Chemical Property:

• Vapor Pressure: 1.9E-05mmHg at 25°C
• Boiling Point: 362.7°Cat760mmHg
• Flash Point: 173.2°C
• PSA: 64.50000
• Density: 1.465g/cm³
• LogP: 1.52888
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.059246208
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

1H-Benzimidazol-2-ylcyanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)NC#N

Technology Process of 1H-benzimidazol-2-ylcyanamide

There total 6 articles about 1H-benzimidazol-2-ylcyanamide 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: 92.0%

N-cyanodiphenylcarbonimidate (79463-77-7) + 1,2-diamino-benzene (95-54-5) → 2-benzimidazolylcarbamonitrile (55864-37-4)

Guidance literature:

In isopropyl alcohol; for 1h; Heating;

Reference yield:

→ 2-benzimidazolylcarbamonitrile (55864-37-4)

Guidance literature:

With hydrogenchloride; potassium nitrite;

Reference yield:

→ 2-benzimidazolylcarbamonitrile (55864-37-4)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

N-cyanodiphenylcarbonimidate

1,2-diamino-benzene

hydrogenchloride

2-guanidinobenzimidazole

Downstream raw materials:

2-amino-4-phenyl-3-ethoxycarbonylpyrimido<1,2-a>benzimidazole

2-amino-4-methylpyrimido<1,2-a>benzimidazole

6-p-methoxyphenyl-2-(2-benzimidazolylamino)-1,3-oxazin-4-one

6-p-tolyl-2-(2-benzimidazolylamino)-1,3-oxazin-4-one