N-Hydroxy-2-nitro-benzamidine

Base Information

• Chemical Name: N-Hydroxy-2-nitro-benzamidine
• CAS No.: 22179-83-5
• Molecular Formula: C7H7N3O3
• Molecular Weight: 181.151
• DSSTox Substance ID: DTXSID201315351
• Mol file: 22179-83-5.mol

Synonyms:N-HYDROXY-2-NITRO-BENZAMIDINE;22179-83-5;2-nitrobenzamidoxime;SCHEMBL7459520;DTXSID201315351;N'-hydroxy-2-nitrobenzenecarboximidamide;N'-hydroxy-2-nitrobenzene-1-carboximidamide;EN300-58855

Chemical Property of N-Hydroxy-2-nitro-benzamidine

Chemical Property:

• PSA: 104.43000
• LogP: 1.91280
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.04874109
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

N-Hydroxy-2-nitro-benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=NO)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C(=C1)/C(=N/O)/N)[N+](=O)[O-]

Technology Process of N-Hydroxy-2-nitro-benzamidine

There total 6 articles about N-Hydroxy-2-nitro-benzamidine 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: 39.0%

o-nitrobenzonitrile (612-24-8) → N'-hydroxy-2-nitrobenzimidamide (22179-83-5)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; water; at 20 ℃; for 8h;

DOI:10.1002/ejoc.201501056

Reference yield:

o-nitrobenzonitrile (612-24-8) → N-hydroxy-2-nitro-benzamidine (22179-83-5,108443-90-9)

Guidance literature:

With hydroxylamine; In ethanol; for 1h; Heating;

DOI:10.1016/S0040-4039(00)02288-7

Reference yield:

N-hydroxy-2-nitrobenzimidoyl chloride (35447-75-7) → N'-hydroxy-2-nitrobenzimidamide (22179-83-5)

Guidance literature:

With ethanol; ammonia;

upstream raw materials:

N-hydroxy-2-nitrobenzimidoyl chloride

o-nitrobenzonitrile

2-nitro-aniline

Downstream raw materials:

1,3-diisopropylurea

N-isopropyl-3-(2-nitrophenyl)-1,2,4-oxadiazol-5-amine

5-methyl-3-(2-nitrophenyl)-1,2,4-oxadiazole

1-[3-(2-Nitro-phenyl)-[1,2,4]oxadiazol-5-yl]-propan-2-one