1-(2-CHLOROPHENYL)-3-PHENYL-2-THIOUREA

Base Information

• Chemical Name: 1-(2-CHLOROPHENYL)-3-PHENYL-2-THIOUREA
• CAS No.: 1932-36-1
• Molecular Formula: C13H11 Cl N2 S
• Molecular Weight: 262.763
• Hs Code.: 2930909090
• European Community (EC) Number: 665-876-4
• NSC Number: 153655
• DSSTox Substance ID: DTXSID90351356
• Nikkaji Number: J1.426.977K
• Mol file: 1932-36-1.mol

Synonyms:Carbanilide,2-chlorothio- (7CI,8CI); N-(o-Chlorophenyl)-N'-phenylthiourea;N-Phenyl-N'-o-chlorophenylthiourea; NSC 153655

Chemical Property of 1-(2-CHLOROPHENYL)-3-PHENYL-2-THIOUREA

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Melting Point: 156°C
• Boiling Point: 371.4°C at 760 mmHg
• PKA: 12.05±0.70(Predicted)
• Flash Point: 178.4°C
• PSA: 56.15000
• Density: 1.385g/cm³
• LogP: 4.29490
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 262.0331472
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-Chlorophenyl)-3-phenyl-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2Cl

Technology Process of 1-(2-CHLOROPHENYL)-3-PHENYL-2-THIOUREA

There total 3 articles about 1-(2-CHLOROPHENYL)-3-PHENYL-2-THIOUREA 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: 99.0%

phenyl isothiocyanate (103-72-0) + o-chloroaniline (95-51-2) → 1-(2-chloro-phenyl)-3-phenyl-thiourea (1932-36-1)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

Reference yield: 81.0%

2-chlorophenylisothiocyanate (2740-81-0) + aniline (62-53-3) → 1-(2-chloro-phenyl)-3-phenyl-thiourea (1932-36-1)

Guidance literature:

Reference yield:

→ 1-(2-chloro-phenyl)-3-phenyl-thiourea (1932-36-1)

Guidance literature:

Phenylisothiocyanat, N-Benzyliden-2-chlor-anilin;

upstream raw materials:

phenyl isothiocyanate

o-chloroaniline

2-chlorophenylisothiocyanate

aniline

Downstream raw materials:

1-Phenyl-3-(o-chlorophenyl)-2-thiobarbituric acid

N-phenyl-2-benzothiazolamine

1-(2-chlorophenyl)-3-phenylguanidine

[1-(2-chlorophenyl)-1H-tetrazol-5-yl]phenylamine

Refernces

• 1、 Harinath, Adimulam,Bano, Kulsum,Ahmed, Shakil,Panda, Tarun K.. "2-Picolylamino(diphenylphosphinoselenoic)amide supported zinc complexes: Efficient catalyst for insertion of N–H bond into carbodiimides, isocyanates, and isothiocyanate". supporting information. p. 23 - 32. Retrieved 2017/09/25.
• 2、 Tiwari, Shailendra,Singh, Kamal Pratap,Ahmad, Akeel. "Synthesis of some 3,5-disubstituted phenyl-5,6-dihydrofuro[2,3-d]thiazol-2(3H)-ylidene) imines as potential pesticides". . p. 1007 - 1012. Retrieved 2017/11/10.