1-(2,4,6-Trichlorophenyl)-2-thiourea

Base Information

• Chemical Name: 1-(2,4,6-Trichlorophenyl)-2-thiourea
• CAS No.: 31118-87-3
• Molecular Formula: C7H5Cl3N2S
• Molecular Weight: 255.552
• Hs Code.: 2930909090
• European Community (EC) Number: 622-427-7
• NSC Number: 201920
• DSSTox Substance ID: DTXSID90369678
• Nikkaji Number: J307.828K
• Mol file: 31118-87-3.mol

Synonyms:31118-87-3;1-(2,4,6-Trichlorophenyl)-2-thiourea;1-(2,4,6-Trichlorophenyl)thiourea;N-(2,4,6-Trichlorophenyl)thiourea;(2,4,6-trichlorophenyl)thiourea;Thiourea, N-(2,4,6-trichlorophenyl)-;C7H5Cl3N2S;2,4,6-trichlorophenylthiourea;NSC201920;SCHEMBL4620484;DTXSID90369678;ZUSZPZPGZMEXLA-UHFFFAOYSA-N;STL454947;AKOS003634306;CCG-237102;NSC-201920;AS-75791;N-(2,4,6-Trichlorophenyl)thiourea, 97%;CS-0132844;FT-0638950;D85859;A820726;J-018246

Chemical Property of 1-(2,4,6-Trichlorophenyl)-2-thiourea

Chemical Property:

• Vapor Pressure: 7.37E-05mmHg at 25°C
• Melting Point: 206-211 °C(lit.)
• Refractive Index: 1.732
• Boiling Point: 342.7 °C at 760 mmHg
• Flash Point: 161.1 °C
• PSA: 70.14000
• Density: 1.665 g/cm³
• LogP: 4.07560
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 253.923902
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4,6-Trichlorophenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)NC(=S)N)Cl)Cl

Technology Process of 1-(2,4,6-Trichlorophenyl)-2-thiourea

There total 3 articles about 1-(2,4,6-Trichlorophenyl)-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:

sodium thiocyanide (540-72-7) + 2,4,6-trichloroaniline (634-93-5) → 1-(2,4,6-trichlorophenyl)thiourea (31118-87-3)

Guidance literature:

With trifluoroacetic acid; In benzene;

DOI:10.1021/jm00280a007

Reference yield:

benzoyl isothiocyanate (45943-14-4) + 2,4,6-trichloroaniline (634-93-5) → 1-(2,4,6-trichlorophenyl)thiourea (31118-87-3)

Guidance literature:

benzoyl isothiocyanate; 1-amino-2,4,6-trichlorobenzene; In acetone; at 75 ℃; for 0.5h;

With sodium hydroxide; In water monomer; at 80 ℃; for 0.5h;

DOI:10.1016/j.bioorg.2022.105683

Reference yield:

→ 1-(2,4,6-trichlorophenyl)thiourea (31118-87-3)

Guidance literature:

entspr. Anilin, C6H5-CO-N=C=S;

DOI:10.1021/jm00230a014

upstream raw materials:

sodium thiocyanide

2,4,6-trichloroaniline

benzoyl isothiocyanate

Downstream raw materials:

2-[(2,4,6-trichlorophenyl)amino]-1,3-thiazol-4(5H)-one

(5Z)-5-(6-quinoxalinylmethylidene)-2-[(2,4,6-trichlorophenyl)amino]-1,3-thiazol-4(5H)-one

N-[(3aR,6aR)-5,5-Dioxo-3-(2,4,6-trichloro-phenyl)-hexahydro-5λ⁶-thieno[3,4-d]thiazol-(2Z)-ylidene]-acetamide

(3aR,6aR)-5,5-Dioxo-3-(2,4,6-trichloro-phenyl)-hexahydro-5λ⁶-thieno[3,4-d]thiazol-2-ylideneamine; hydrobromide

Refernces