4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide

Base Information

• Chemical Name: 4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide
• CAS No.: 5034-77-5
• Molecular Formula: C₈H₁₂Cl₂N₆O
• Molecular Weight: 279.129
• DSSTox Substance ID: DTXSID001032375
• NCI Thesaurus Code: C2216
• Mol file: 5034-77-5.mol

Synonyms:5-(3,3-bis(2-chloroethyl)-1-triazeno)imidazole-4-carboxamide;BIC;BIC mustard;imidazole mustard;imidazole mustard, hydrochloride;imidazole mustard, monohydrochloride;MCTIC;NSC 82,196;NSC-82196;TIC mustard

Chemical Property of 4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide

Chemical Property:

• Vapor Pressure: 1.49E-07mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 415.2°Cat760mmHg
• Flash Point: 204.9°C
• PSA: 99.73000
• Density: 1.59g/cm³
• LogP: 1.98720
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 278.0449644
• Heavy Atom Count: 17
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

IMIDAZOLE MUSTARD 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(C(=N1)C(=O)N)N=NN(CCCl)CCCl

Technology Process of 4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide

There total 1 articles about 4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide 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:

→ 5(4)-<3,3-Bis-(2-chlorethyl)-1-triazeno>-imidazol-4(5)-carboxamid (5034-77-5)

Guidance literature:

Aus 5-Diazoimidazol-4-carboxamid + (ClCH2CH2)2NH;

DOI:10.1002/jps.2600570116

Refernces

• 1、 Shealy,Krauth,Holum,Fitzgibbon. "Synthesis and properties of the antileukemic agent 5(or 4)-[3,3-Bis(2-chloroethyl)-1-triazeno]imidazole-4(or 5)-carboxamide.". . p. 83 - 86. Retrieved 1968.