1-(3-Chlorophenyl)guanidine

Base Information

• Chemical Name: 1-(3-Chlorophenyl)guanidine
• CAS No.: 6145-41-1
• Molecular Formula: C7H8ClN3
• Molecular Weight: 169.614
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID20438841
• Nikkaji Number: J771.648F
• Pharos Ligand ID: SJ3ZWR7B9V3M
• ChEMBL ID: CHEMBL13823
• Mol file: 6145-41-1.mol

Synonyms:m-chlorophenylguanidine;MD-354

Chemical Property of 1-(3-Chlorophenyl)guanidine

Chemical Property:

• Vapor Pressure: 7.68E-05mmHg at 25°C
• Melting Point: 206 °C(Solv: ethanol, 95% (64-17-5))
• Refractive Index: 1.622
• Boiling Point: 342.1 °C at 760 mmHg
• PKA: 10.16±0.70(Predicted)
• Flash Point: 160.7 °C
• PSA: 61.90000
• Density: 1.36 g/cm³
• LogP: 2.51840
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.0406750
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

1-(3-chlorophenyl)guanidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)N=C(N)N

Technology Process of 1-(3-Chlorophenyl)guanidine

There total 3 articles about 1-(3-Chlorophenyl)guanidine 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:

CYANAMID (420-04-2) + 3-chloro-aniline (108-42-9) → 3-chlorophenylguanidine (6145-41-1)

Guidance literature:

With nitric acid; In ethanol; water;

DOI:10.1016/j.bmcl.2012.08.107

Reference yield:

CYANAMID (420-04-2) + 3-chloroaniline hydrochloride (141-85-5) → 3-chlorophenylguanidine (6145-41-1)

Guidance literature:

With ethanol;

DOI:10.1039/jr9460001063

Reference yield:

→ 3-chlorophenylguanidine (6145-41-1)

Guidance literature:

Bis-(formamidin)-disulfid, m-Chloranilin;

upstream raw materials:

CYANAMID

3-chloroaniline hydrochloride

3-chloro-aniline

Downstream raw materials:

N-(3-chlorophenyl)-4-(3-pyridyl)-2-pyrimidinamine

4-(1-Benzyl-2-methylimidazol-5-yl)-2-(3-chloroanilino)pyrimidine

2-(3-Chloroanilino)-4-(2-methylimidazol-5-yl)pyrimidin

(3-Chlorophenyl)-(4[3,5-dimethoxy-4-(2-morpholin-4-yl-ethoxy)phenyl]pyrimidin-2-yl)-amine