2-(Trichloromethyl)-1,3-benzothiazole

Base Information

• Chemical Name: 2-(Trichloromethyl)-1,3-benzothiazole
• CAS No.: 6269-43-8
• Molecular Formula: C8H4Cl3NS
• Molecular Weight: 252.5481
• NSC Number: 33750
• DSSTox Substance ID: DTXSID60283852
• Wikidata: Q82018580

Synonyms:2-(trichloromethyl)-1,3-benzothiazole;6269-43-8;NSC33750;SCHEMBL3907554;DTXSID60283852;NSC-33750

Chemical Property of 2-(Trichloromethyl)-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 0.00975mmHg at 25°C
• Boiling Point: 273.1°C at 760 mmHg
• Flash Point: 119°C
• Density: 1.602g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 250.913003
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C(Cl)(Cl)Cl

Technology Process of 2-(Trichloromethyl)-1,3-benzothiazole

There total 4 articles about 2-(Trichloromethyl)-1,3-benzothiazole 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: 86.0%

2-Methylbenzothiazole (120-75-2) → 2-benzothiazolyltrichloromethane (6269-43-8)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; for 0.5h; microwave irradiation;

DOI:10.1016/j.tet.2006.05.081

Reference yield:

1,3-benzothiazol-2-ylmethanol (37859-42-0) → 2-benzothiazolyldichloromethane (6278-69-9) + 2-chloromethylbenzothiazole (37859-43-1) + 2-benzothiazolyltrichloromethane (6269-43-8)

Guidance literature:

With thionyl chloride;

DOI:10.1016/S0040-4039(00)74438-8

Reference yield:

2-aminobenzenethiol hydrochloride (3292-42-0) + trichloroacetonitrile (545-06-2) → 2-benzothiazolyltrichloromethane (6269-43-8)

Guidance literature:

In ethanol; for 6h; Ambient temperature;

DOI:10.1039/j39670000020

upstream raw materials:

2-aminobenzenethiol hydrochloride

trichloroacetonitrile

1,3-benzothiazol-2-ylmethanol

2-Methylbenzothiazole

Downstream raw materials:

2-<2-Imidazolinyl-(2)>benzothiazol

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