3-Nitrobenzylguanidine

Base Information

• Chemical Name: 3-Nitrobenzylguanidine
• CAS No.: 93338-63-7
• Molecular Formula: C8H10 N4 O2
• Molecular Weight: 194.19
• DSSTox Substance ID: DTXSID70239385
• Mol file: 93338-63-7.mol

Synonyms:3-nitrobenzylguanidine;meta-nitrobenzylguanidine;meta-nitrobenzylguanidine sulfate

Chemical Property of 3-Nitrobenzylguanidine

Chemical Property:

• Vapor Pressure: 8.35E-07mmHg at 25°C
• Boiling Point: 406.1°Cat760mmHg
• Flash Point: 199.4°C
• Density: 1.42g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.08037557
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

(3-NITROBENZYL)GUANIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN=C(N)N

Technology Process of 3-Nitrobenzylguanidine

There total 1 articles about 3-Nitrobenzylguanidine 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:

S-Methylisothiourea sulfate (867-44-7,147895-43-0) + 1-bromomethyl-3-nitrobenzene (3958-57-4) → m-Nitrobenzylguanidine (93338-63-7)

Guidance literature:

Multistep reaction; (i) NH₃, (ii) /BRN= 3917217/, H₂O;

Reference yield: 70.0%

m-Nitrobenzylguanidine (93338-63-7) → 1-(3-aminobenzyl)guanidine (93338-62-6)

Guidance literature:

With ammonium formate; 10% palladium on active carbon; In methanol; for 0.416667h; Ambient temperature;

DOI:10.1016/S0040-4039(01)91034-2

upstream raw materials:

S-Methylisothiourea sulfate

1-bromomethyl-3-nitrobenzene

Downstream raw materials:

1-(3-aminobenzyl)guanidine