4-Nitrobenzylidene aminoguanidine

Base Information

• Chemical Name: 4-Nitrobenzylidene aminoguanidine
• CAS No.: 30068-29-2
• Molecular Formula: C8H9 N5 O2
• Molecular Weight: 0
• Hs Code.: 2928000090
• NSC Number: 66289
• UNII: 5A58VG29YC
• DSSTox Substance ID: DTXSID00879430
• ChEMBL ID: CHEMBL1626818
• Mol file: 30068-29-2.mol

Synonyms:4-nitrobenzylidene aminoguanidine;NBAG

Chemical Property of 4-Nitrobenzylidene aminoguanidine

Chemical Property:

• Boiling Point: 431.7°Cat760mmHg
• Flash Point: 214.9°C
• PSA: 120.08000
• Density: 1.46g/cm³
• LogP: 2.12590
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.07562455
• Heavy Atom Count: 15
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NN=C(N)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C=N/N=C(N)N)[N+](=O)[O-]

Technology Process of 4-Nitrobenzylidene aminoguanidine

There total 4 articles about 4-Nitrobenzylidene aminoguanidine 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-benzylidenehydrazinecarboximidamide (3357-37-7) → 2-(4-nitrobenzylidene)hydrazine-1-carboximidamide (30068-29-2) + (2-nitro-benzylidenamino)-guanidine (146903-55-1,102632-31-5)

Guidance literature:

bei der Nitrierung;

Reference yield:

aminoguanidine bicarbonate (2582-30-1) + 4-nitrobenzaldehdye (555-16-8) → 2-(4-nitrobenzylidene)hydrazine-1-carboximidamide (30068-29-2)

Guidance literature:

With hydrogenchloride; In ethanol;

DOI:10.1248/cpb.22.2444

Reference yield:

4-nitrobenzaldehdye (555-16-8) + aminoguanidine nitrate (10308-82-4) → 2-(4-nitrobenzylidene)hydrazine-1-carboximidamide (30068-29-2)

Guidance literature:

upstream raw materials:

4-nitrobenzaldehdye

aminoguanidine nitrate

2-benzylidenehydrazinecarboximidamide

aminoguanidine bicarbonate

Downstream raw materials:

N-Carbamimidoyl-3-(4-nitro-phenyl)-N'''-phenyl-formazan