5-Nitro-2-furamidoxime

Base Information

• Chemical Name: 5-Nitro-2-furamidoxime
• CAS No.: 772-43-0
• Molecular Formula: C5H4N2O5
• Molecular Weight: 172.11
• DSSTox Substance ID: DTXSID0020945
• ChEMBL ID: CHEMBL83487
• Mol file: 772-43-0.mol

Synonyms:5-Nitro-2-furamidoxime;772-43-0;CCRIS 1190;2-Furamidoxime, 5-nitro-;N'-hydroxy-5-nitrofuran-2-carboximidamide;N-Hydroxy-5-nitro-2-furancarboximidamide;2-Furancarboximidamide, N-hydroxy-5-nitro-;5-Nitrofuran-2-carboxamide oxime;CHEMBL83487;SCHEMBL4587988;DTXSID0020945;CCG-1977;LS-7548;N-hydroxy-5-nitrofuran-2-carboximidamide;SR-01000632232-1

Chemical Property of 5-Nitro-2-furamidoxime

Chemical Property:

• Melting Point: 177-178 °C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 394.1°Cat760mmHg
• PKA: 12.70±0.50(Predicted)
• Flash Point: 192.2°C
• PSA: 117.57000
• Density: 1.79g/cm³
• LogP: 1.50580
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 171.02800565
• Heavy Atom Count: 12
• Complexity: 211

Purity/Quality:

98%min ^*data from raw suppliers

N'-HYDROXY-5-NITROFURAN-2-CARBOXIMIDAMIDE 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(=NO)N
• Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C(=N/O)/N

Technology Process of 5-Nitro-2-furamidoxime

There total 2 articles about 5-Nitro-2-furamidoxime 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:

→ N-Hydroxy-5-nitrofuran-2-carboxamidine (772-43-0)

Guidance literature:

Reference yield:

→ 5-Nitro-2-furancarboxamide oxime (772-43-0)

Guidance literature:

5-Nitro-fur-2-ylcarbonsaeure-nitril, NH2OH*HCl, KOH ;

DOI:10.1021/jm00325a006

Reference yield: 88.0%

5-Nitro-2-furancarboxamide oxime (772-43-0) + acetonitrile (75-05-8,26809-02-9) → 5-Methyl-3-(5-nitro-2-furyl)-1,2,4-oxadiazole (63-61-6)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; for 1.5h; Heating;

DOI:10.1016/S0040-4020(01)90529-0

Downstream raw materials:

3-(5-nitro-furan-2-yl)-5-phenyl-2⁽⁴⁾,5-dihydro-[1,2,4]oxadiazole

5-nitrofuran-2-carbonitrile

5-Benzyl-3-(5-nitro-2-furyl)-1,2,4-oxadiazole

5-Chloromethyl-3-(5-nitro-2-furyl)-1,2,4-oxadiazole