p-Nitrophenylbiguanide

Base Information

• Chemical Name: p-Nitrophenylbiguanide
• CAS No.: 4323-50-6
• Molecular Formula: C8H10N6O2
• Molecular Weight: 222.206
• European Community (EC) Number: 224-355-8
• NSC Number: 34785
• UNII: 92H4DR2UHD
• DSSTox Substance ID: DTXSID90195797
• Nikkaji Number: J41.833A
• ChEMBL ID: CHEMBL4088381
• Mol file: 4323-50-6.mol

Synonyms:p-Nitrophenylbiguanide;1-(p-Nitrophenyl)biguanide;4323-50-6;BIGUANIDE, 1-(p-NITROPHENYL)-;Imidodicarbonimidic diamide, N-(4-nitrophenyl)-;1-(diaminomethylidene)-2-(4-nitrophenyl)guanidine;N-(4-Nitrophenyl)imidodicarbonimidic diamide;EINECS 224-355-8;NSC 34785;92H4DR2UHD;CHEMBL4088381;NSC-34785;C8H10N6O2;NSC34785;1-p-Nitrophenylbiguanide;UNII-92H4DR2UHD;WLN: WNR DMYUM&MYZUM;SCHEMBL1740901;DTXSID90195797;BDBM50227833;C8-H10-N6-O2;AKOS024334824;LS-43947;1-carbamimidoyl-3-(4-nitrophenyl)guanidine;N-{4-nitrophenyl}dicarbonimido/ic diamide/imido;AO-295/40848558;N-(4-Nitrophenyl)dicarbonimido/ic diamide/imido #

Chemical Property of p-Nitrophenylbiguanide

Chemical Property:

• Vapor Pressure: 6.67E-10mmHg at 25°C
• Boiling Point: 494°Cat760mmHg
• Flash Point: 252.6°C
• PSA: 143.60000
• Density: 1.6g/cm³
• LogP: 2.31140
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.08652358
• Heavy Atom Count: 16
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)[N+](=O)[O-]

Technology Process of p-Nitrophenylbiguanide

There total 4 articles about p-Nitrophenylbiguanide 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: 68.0%

4-nitro-aniline (100-01-6,104810-17-5) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → p-Nitrophenylbiguanide (4323-50-6)

Guidance literature:

4-nitro-aniline; N-Cyanoguanidine; In toluene; at 20 ℃; for 0.25h;

With hydrogenchloride; In water; toluene; for 16h;

DOI:10.1155/2017/1212609

Reference yield:

→ p-Nitrophenylbiguanide (4323-50-6)

Guidance literature:

With sulfuric acid; nitric acid; at 30 - 40 ℃;

Reference yield:

4-nitroaniline hydrochloride (15873-51-5) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → p-Nitrophenylbiguanide (4323-50-6)

Guidance literature:

In ethyl acetate; Heating;

upstream raw materials:

4-nitro-aniline

N-Cyanoguanidine

4-nitroaniline hydrochloride

Downstream raw materials:

4-nitro-aniline

6-(5-nitro-furan-2-yl)-N-(4-nitro-phenyl)-[1,3,5]triazine-2,4-diamine

N-carbamimidoyl-N'-(4-nitro-phenyl)-urea

N-(4-nitro-phenyl)-[1,3,5]triazine-2,4-diamine