Nidroxyzone

Base Information

• Chemical Name: Nidroxyzone
• CAS No.: 405-22-1
• Molecular Formula: C8H10 N4 O5
• Molecular Weight: 242.191
• Hs Code.: 2934999090
• European Community (EC) Number: 206-970-3
• NSC Number: 6474
• UNII: YN9DMN3CVQ
• NCI Thesaurus Code: C84014
• ChEMBL ID: CHEMBL92444
• Mol file: 405-22-1.mol

Synonyms:5-nitro-2-furaldehyde 2-(2-hydroxyethyl)semicarbazone;furadroxyl;nidroxyzone

Chemical Property of Nidroxyzone

Chemical Property:

• Vapor Pressure: 5.29E-09mmHg at 25°C
• Melting Point: 214-216° (dec)
• Refractive Index: 1.6590 (estimate)
• Boiling Point: 453.2°Cat760mmHg
• Flash Point: 227.9°C
• PSA: 137.88000
• Density: 1.59g/cm³
• LogP: 1.11820
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 242.06511943
• Heavy Atom Count: 17
• Complexity: 316

Purity/Quality:

98%min ^*data from raw suppliers

FURADROXYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NN(CCO)C(=O)N
• Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/N(CCO)C(=O)N

Technology Process of Nidroxyzone

There total 2 articles about Nidroxyzone 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-nitrofurane-2-carboxaldehyde (698-63-5) + 2-hydroxyethylhydrazine (109-84-2) → 5-nitro-furfural-[2-(2-hydroxy-ethyl)-semicarbazone] (405-22-1)

Guidance literature:

With potassium cyanate; water;

Reference yield:

→ 5-nitro-furfural-[2-(2-hydroxy-ethyl)-semicarbazone] (405-22-1)

Guidance literature:

5-Nitro-furfural-(2)-2-(2-chlorethyl)-semicarbazon,Morpholin, 30 min Kochen, Eg.;

DOI:10.1021/jo01032a022

Reference yield:

5-nitro-furfural-[2-(2-hydroxy-ethyl)-semicarbazone] (405-22-1) → furazolidone (67-45-8)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂; benzene

2: H₂O; aqueous H₂SO₄

With thionyl chloride; sulfuric acid; water; benzene;

DOI:10.1021/ja01613a075

upstream raw materials:

5-nitrofurane-2-carboxaldehyde

2-hydroxyethylhydrazine

Downstream raw materials:

(2-imino-oxazolidin-3-yl)-(5-nitro-[2]furfuryliden)-amine

furazolidone