1-(2-Chlorophenyl)-2-thiourea

Base Information

• Chemical Name: 1-(2-Chlorophenyl)-2-thiourea
• CAS No.: 5344-82-1
• Molecular Formula: C7H7ClN2S
• Molecular Weight: 186.665
• Hs Code.: 29309090
• European Community (EC) Number: 226-291-6
• NSC Number: 1165
• UN Number: 2811,2588
• UNII: NEP40W9Y41
• DSSTox Substance ID: DTXSID4063799
• Nikkaji Number: J30.224D
• Wikipedia: (2-Chlorophenyl)thiourea
• Wikidata: Q4542152
• Mol file: 5344-82-1.mol

Synonyms:1-(2-Chlorophenyl)-2-thiourea;5344-82-1;1-(2-Chlorophenyl)thiourea;(2-chlorophenyl)thiourea;N-(2-Chlorophenyl)thiourea;Thiourea, (2-chlorophenyl)-;2-CHLOROPHENYLTHIOUREA;1-(o-Chlorophenyl)thiourea;(o-Chlorophenyl)thiourea;Urea, 1-(o-chlorophenyl)-2-thio-;2-Chlorophenyl thiourea;RCRA waste no. P026;RCRA waste number P026;(2-chlorophenyl)-thiourea;NSC 1165;o-chlorophenylthiourea;Thiourea, 1-(2-chlorophenyl);HSDB 6041;EINECS 226-291-6;BRN 0776946;UNII-NEP40W9Y41;NEP40W9Y41;Thiourea, N-(2-chlorophenyl)-;NSC-1165;3-12-00-01296 (Beilstein Handbook Reference);MFCD00004934;1-(o-Chlorophenyl)-2-thiourea;o-chlorophenylisothiourea;WLN: SUYZMR BG;(2-Chlorophenyl) thiourea;Chlorophenyl thiourea, 2-;(2-chloro-phenyl)-thiourea;O-CHLOROPHENYL)THIOUREA;SCHEMBL1605140;DTXSID4063799;N-(2-chlorophenyl)-2-thiourea;SCHEMBL10788185;NSC1165;BDBM110174;STL290664;AKOS002663188;PS-4555;N-(2-CHLOROPHENYL)THIOUREA [HSDB];LS-159603;CS-0151374;FT-0612003;EN300-28839;D82299;A829597;AP-381/41075529;Q4542152;Z57470411

Chemical Property of 1-(2-Chlorophenyl)-2-thiourea

Chemical Property:

• Appearance/Colour: white crystals or powder
• Vapor Pressure: 0.00176mmHg at 25°C
• Melting Point: 144-149 °C
• Refractive Index: 1.727
• Boiling Point: 293.1 °C at 760 mmHg
• PKA: 12.34±0.70(Predicted)
• Flash Point: 131.1 °C
• PSA: 70.14000
• Density: 1.441 g/cm³
• LogP: 2.76880
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.0018471
• Heavy Atom Count: 11
• Complexity: 151
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 28-43-38
• Safety Statements: 45-28A-1-36/37/39-28-22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiourea Compounds
• Canonical SMILES: C1=CC=C(C(=C1)NC(=S)N)Cl

Technology Process of 1-(2-Chlorophenyl)-2-thiourea

There total 17 articles about 1-(2-Chlorophenyl)-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: 100.0%

ammonium thiocyanate + o-chloroaniline (95-51-2) → o-chlorophenylthiourea (5344-82-1)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 12h;

Reference yield: 100.0%

2-chlorophenylisothiocyanate (2740-81-0) → o-chlorophenylthiourea (5344-82-1)

Guidance literature:

With ammonium hydroxide; In water; acetonitrile; at 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2018.10.055

Reference yield: 99.0%

ammonium thiocyanate (1147550-11-5) + 2-chloroaniline hydrochloride (137-04-2) → o-chlorophenylthiourea (5344-82-1)

Guidance literature:

With ethanol; for 0.0125h; Microwave irradiation; Neat (no solvent);

upstream raw materials:

2-chlorophenylisothiocyanate

N-benzoyl-N'-(2-chlorophenyl)thiourea

ammonium thiocyanate

o-chloroaniline

Downstream raw materials:

(2-chloro-phenyl)-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine

2-(2-chloro-anilino)-4-methyl-thiazole-5-carboxylic acid ethyl ester

5-Amino-2-[(Z)-2-chloro-phenylimino]-4-oxo-thiazolidine-5-carboxylic acid ethyl ester

4-(4'-aminophenyl)-2-(o-chlorophenylamino)-thiazole

Refernces

• 1、 Kondhare, Dasharath D.,Bhadke, Venkat V.,Deshmukh, Sushma S.,Wakhradkar, Mahesh G.,Totawar, Balaji B.. "Eco-efficient one-pot tandem synthesis of 1-aryl-1H-tetrazol-5-amine by CAN via in situ generated 1-phenylthiourea and heterocumulene". . . Retrieved 2021/07/28.
• 2、 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.