Niridazole

Base Information

• Chemical Name: Niridazole
• CAS No.: 61-57-4
• Molecular Formula: C6H6 N4 O3 S
• Molecular Weight: 214.205
• Hs Code.: 2934999090
• European Community (EC) Number: 200-512-6
• NSC Number: 136947
• UNII: N116U8Y5QQ
• DSSTox Substance ID: DTXSID6045244
• Nikkaji Number: J2.343D
• Wikipedia: Niridazole
• Wikidata: Q7039974
• NCI Thesaurus Code: C90757
• Pharos Ligand ID: 78JN4N12CRQH
• Metabolomics Workbench ID: 154449
• ChEMBL ID: CHEMBL152632
• Mol file: 61-57-4.mol

Synonyms:Ambilar;Ambilhar;BA, CIBA 32.644;CIBA 32.644 BA;Niridazole

Chemical Property of Niridazole

Chemical Property:

• Vapor Pressure: 0.00715mmHg at 25°C
• Melting Point: 260-262°
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 278.6°C at 760 mmHg
• PKA: 12.73±0.20(Predicted)
• Flash Point: 122.3°C
• PSA: 119.29000
• Density: 1.549g/cm³
• LogP: 1.49790
• Water Solubility.: 0.13g/L(25 oC)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.01606124
• Heavy Atom Count: 14
• Complexity: 268

Purity/Quality:

99%, ^*data from raw suppliers

NIRIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N1)C2=NC=C(S2)[N+](=O)[O-]

Technology Process of Niridazole

There total 3 articles about Niridazole 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-methoxy-4,5-dihydro-1H-imidazole (28118-54-9) + 2-bromo-5-nitro-1,3-thiazole (3034-48-8) → niridazole (61-57-4)

Guidance literature:

In N,N-dimethyl-formamide; for 8h; Ambient temperature;

DOI:10.1021/jm00254a011

Reference yield:

2-(2-methylsulfanyl-4,5-dihydro-imidazol-1-yl)-5-nitro-thiazole (37422-15-4) → niridazole (61-57-4)

Guidance literature:

With dihydrogen peroxide; acetic acid;

Reference yield:

→ niridazole (61-57-4)

Guidance literature:

aus 2-Amino-5-nitro-thiazol und 2-Chlor-aethyl-isocyanat;

DOI:10.1007/BF02152146

upstream raw materials:

2-methoxy-4,5-dihydro-1H-imidazole

2-bromo-5-nitro-1,3-thiazole

2-(2-methylsulfanyl-4,5-dihydro-imidazol-1-yl)-5-nitro-thiazole

Refernces

• 1、 Kutter,Machleidt,Reuter,Sauter,Wildfeuer. "Structure-activity correlations in the series of antimicrobially active nitrothiazoles". . p. 1045 - 1054. Retrieved 2007/10/05.