2-Chlorothioxanthene

Base Information

• Chemical Name: 2-Chlorothioxanthene
• CAS No.: 92-38-6
• Molecular Formula: C13H9 Cl S
• Molecular Weight: 232.733
• NSC Number: 54679
• DSSTox Substance ID: DTXSID90288198
• Nikkaji Number: J406.340F
• Wikidata: Q82024511
• ChEMBL ID: CHEMBL309280
• Mol file: 92-38-6.mol

Synonyms:2-Chlorothioxanthene;2-Chloro-9H-thioxanthene;92-38-6;2-Chlorthioxanthen;NSC54679;2-Chlorothiaxanthene;Thioxanthene, 2-chloro-;9H-Thioxanthene,2-chloro-;9H-Thioxanthene, 2-chloro-;SCHEMBL130334;CHEMBL309280;DTXSID90288198;NSC-54679;2-CHLORO-10H-DIBENZO[B,E]THIOPYRAN;EN300-9485221

Chemical Property of 2-Chlorothioxanthene

Chemical Property:

• Vapor Pressure: 4.7E-05mmHg at 25°C
• Boiling Point: 360.1°Cat760mmHg
• Flash Point: 161.1°C
• Density: 1.311g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 232.0113492
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Technology Process of 2-Chlorothioxanthene

There total 1 articles about 2-Chlorothioxanthene 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:

→ 2-chloro-9H-thioxanthene (92-38-6) + 2-Chlorothioxanthone (86-39-5)

Guidance literature:

With hydrogenchloride; methanol; alkaline aqueous potassium borate solution;

Reference yield: 98.0%

2-chloro-9H-thioxanthene (92-38-6) → 2-Chlorothioxanthone (86-39-5)

Guidance literature:

With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,2-dichloro-ethane; at 20 ℃; for 12h; Irradiation;

DOI:10.1055/s-0037-1610678

Reference yield: 94.0%

2-chloro-9H-thioxanthene (92-38-6) + phenylboronic acid (98-80-6) → 2-phenyl-9H-thioxanthene

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-dicyclohexylphosphino-2’,6’-dimethoxybiphenyl; potassium carbonate; In water; toluene; at 100 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.5b03384

Downstream raw materials:

2-Chlorothioxanthone