Guanidine, N,N'-diphenyl-, hydrochloride

Base Information

• Chemical Name: Guanidine, N,N'-diphenyl-, hydrochloride
• CAS No.: 24245-27-0
• Molecular Formula: C13H13 N3 . Cl H
• Molecular Weight: 247.727
• Hs Code.: 2925290090
• European Community (EC) Number: 246-107-8
• DSSTox Substance ID: DTXSID401014595
• Mol file: 24245-27-0.mol

Synonyms:1,3-diphenylguanidine;diphenylguanidine;diphenylguanidine hydrochloride;diphenylguanidine monohydrochloride;diphenylguanidine sulfate (2:1);sym-diphenylguanidine

Chemical Property of Guanidine, N,N'-diphenyl-, hydrochloride

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 141-142 °C
• Boiling Point: 364.3oC at 760 mmHg
• Flash Point: 174.1oC
• PSA: 47.91000
• Density: 1.19[at 20℃]
• LogP: 4.19310
• Water Solubility.: 16.71g/L at 20℃
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 247.0876252
• Heavy Atom Count: 17
• Complexity: 225

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.Cl

Technology Process of Guanidine, N,N'-diphenyl-, hydrochloride

There total 2 articles about Guanidine, N,N'-diphenyl-, hydrochloride 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: 85.0%

aniline hydrochloride (142-04-1,36663-09-9) + phenyl isothiocyanate (103-72-0) → N,N'-diphenylguanidine hydrochloride (24245-27-0)

Guidance literature:

phenyl isothiocyanate; With sodium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

aniline hydrochloride; With aluminum (III) chloride; In tetrahydrofuran; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2010.01.003

Reference yield: 70.0%

aniline hydrochloride (142-04-1,36663-09-9) + phenyl isocyanate (103-71-9) → N,N'-diphenylguanidine hydrochloride (24245-27-0)

Guidance literature:

phenyl isocyanate; With sodium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

aniline hydrochloride; With aluminum (III) chloride; In tetrahydrofuran; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2010.01.003

Reference yield:

N,N'-diphenylguanidine hydrochloride (24245-27-0) → N,N'-bis-(4-bromo-phenyl)-guanidine; N.N'-bis-(4-bromo-phenyl)-guanidine hydrochloride

Guidance literature:

With bromine;

DOI:10.1016/S1089-9472(00)80003-9

upstream raw materials:

aniline hydrochloride

phenyl isocyanate

phenyl isothiocyanate

Refernces