1-(2,4-Dichlorophenyl)thiourea

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)thiourea
• CAS No.: 6326-14-3
• Molecular Formula: C7H6Cl2N2S
• Molecular Weight: 221.11
• Hs Code.: 29420000
• European Community (EC) Number: 664-918-9
• NSC Number: 31189
• DSSTox Substance ID: DTXSID40372612
• Nikkaji Number: J308.074I
• ChEMBL ID: CHEMBL1878813
• Mol file: 6326-14-3.mol

Synonyms:6326-14-3;1-(2,4-dichlorophenyl)thiourea;2,4-dichlorophenylthiourea;(2,4-dichlorophenyl)thiourea;N-(2,4-dichlorophenyl)thiourea;1-(2,4-Dichlorophenyl)-2-thiourea;Thiourea, (2,4-dichlorophenyl)-;NSC31189;Maybridge1_008642;MLS000835021;SCHEMBL653172;CHEMBL1878813;HMS566A18;DTXSID40372612;JS-194C;HMS2799L22;MFCD00022161;NSC-31189;STL505994;AKOS000369681;SMR000461637;CS-0043274;FT-0610072;EN300-28840;D83812;A834302;J-502908;F8882-1177

Chemical Property of 1-(2,4-Dichlorophenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.000292mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.73
• Boiling Point: 321.8 °C at 760 mmHg
• PKA: 12.04±0.70(Predicted)
• Flash Point: 148.4 °C
• PSA: 70.14000
• Density: 1.563 g/cm³
• LogP: 3.42220
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.9628748
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4-Dichlorophenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/22-25
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)NC(=S)N
• Uses: N-(2,4-Dichlorophenyl)thiourea is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Technology Process of 1-(2,4-Dichlorophenyl)thiourea

There total 8 articles about 1-(2,4-Dichlorophenyl)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%

2, 4-dichlorophenyl isothiocyanate (6590-96-1) → 2,4-dichlorophenylthiourea (6326-14-3)

Guidance literature:

With ammonia; In 1,2-dimethoxyethane;

DOI:10.1055/s-0031-1290963

Reference yield:

N-benzoyl-N’-(2,4-dichlorophenyl)thiourea (71233-08-4) → 2,4-dichlorophenylthiourea (6326-14-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01321a061

Reference yield:

ammonium thiocyanate (1147550-11-5) + 2,4-Dichloroaniline (554-00-7,51908-09-9) → 2,4-dichlorophenylthiourea (6326-14-3)

Guidance literature:

With hydrogenchloride; In water; Heating;

DOI:10.2174/1570178615666180425120039

upstream raw materials:

N-benzoyl-N’-(2,4-dichlorophenyl)thiourea

2, 4-dichlorophenyl isothiocyanate

potassium thioacyanate

2,4-Dichloroaniline

Downstream raw materials:

5-(2,4-dichloro-anilino)-3H-thiazolo[4,5-d]thiazol-2-one

5-(4-bromo-phenyl)-2-(2,4-dichloro-anilino)-thiazol-4-one

4-amino-3-(2,4-dichloro-phenyl)-5-phenyl-3H-thiazol-2-ylideneamine

2-(2,4-dichlorophenylamino)-4-(2'-pyrazinyl)thiazole

Refernces

• 1、 El-Malah, Afaf,Khayyat, Ahdab N.,Malebari, Azizah M.,Mohamed, Khaled O.. "Design, synthesis, and antipoliferative activities of novel substituted imidazole-thione linked benzotriazole derivatives". . . Retrieved 2021/10/12.
• 2、 Wang, Rong,Hou, Shuang,Dong, Xiaojing,Chen, Daijie,Shao, Lei,Qian, Liujia,Li, Zhong,Xu, Xiaoyong. "Synergism of fused bicyclic 2-aminothiazolyl compounds with polymyxin B against: Klebsiella pneumoniae". supporting information. p. 2060 - 2066. Retrieved 2017/11/22.