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2,1,3-Benzothiadiazole

Base Information
  • Chemical Name:2,1,3-Benzothiadiazole
  • CAS No.:273-13-2
  • Molecular Formula:C6H4N2S
  • Molecular Weight:136.177
  • Hs Code.:29349990
  • European Community (EC) Number:205-985-2
  • NSC Number:43636,679
  • UNII:8FTH8AJA9H
  • DSSTox Substance ID:DTXSID3059767
  • Nikkaji Number:J5.448H
  • Wikipedia:2,1,3-Benzothiadiazole
  • Wikidata:Q72445613
  • ChEMBL ID:CHEMBL283327
  • Mol file:273-13-2.mol
2,1,3-Benzothiadiazole

Synonyms:1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;benzo-1,2,3-thiadiazole;benzothiadiazole

Suppliers and Price of 2,1,3-Benzothiadiazole
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 2,1,3-Benzothiadiazole
  • 10g
  • $ 70.00
  • TCI Chemical
  • 2,1,3-Benzothiadiazole >99.0%(GC)
  • 25g
  • $ 92.00
  • TCI Chemical
  • 2,1,3-Benzothiadiazole >99.0%(GC)
  • 10g
  • $ 46.00
  • Sigma-Aldrich
  • 2,1,3-Benzothiadiazole 98%
  • 5g
  • $ 35.30
  • Sigma-Aldrich
  • 2,1,3-Benzothiadiazole 98%
  • 25g
  • $ 127.00
  • Sigma-Aldrich
  • 2,1,3-Benzothiadiazole 98%
  • 100g
  • $ 250.00
  • Matrix Scientific
  • 2,1,3-Benzothiadiazole 95+%
  • 500g
  • $ 192.00
  • Matrix Scientific
  • 2,1,3-Benzothiadiazole 95+%
  • 100g
  • $ 49.00
  • J&W Pharmlab
  • Benzo[1,2,5]thiadiazole 96%
  • 25g
  • $ 20.00
  • J&W Pharmlab
  • Benzo[1,2,5]thiadiazole 96%
  • 100g
  • $ 60.00
Total 113 raw suppliers
Chemical Property of 2,1,3-Benzothiadiazole
Chemical Property:
  • Appearance/Colour:white to off-white crystalline powder 
  • Vapor Pressure:0.348mmHg at 25°C 
  • Melting Point:42-44 °C(lit.) 
  • Refractive Index:1.705 
  • Boiling Point:206 °C at 760 mmHg 
  • PKA:0.37±0.33(Predicted) 
  • Flash Point:81.4 °C 
  • PSA:54.02000 
  • Density:1.368 g/cm3 
  • LogP:1.69130 
  • Storage Temp.:Sealed in dry,Room Temperature 
  • Solubility.:Solubility in methanol almost transparent. 
  • XLogP3:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:0
  • Exact Mass:136.00951931
  • Heavy Atom Count:9
  • Complexity:95.2
Purity/Quality:

99% *data from raw suppliers

2,1,3-Benzothiadiazole *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
  • Statements: 36/37/38 
  • Safety Statements: 22-24/25-36/37/39-26 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:C1=CC2=NSN=C2C=C1
  • General Description 2,1,3-Benzothiadiazole is a heterocyclic compound that exhibits reversible one-electron reduction to form a radical anion, with its redox potential influenced by electron-withdrawing substituents. Derivatives with alkyl, phenyl, or halogen groups follow this trend, while nitro and bromo derivatives undergo preferential reduction at the substituent. 2,1,3-Benzothiadiazole's redox properties suggest potential utility as an electron-transfer agent in artificial systems, such as ATP synthesis.
Technology Process of 2,1,3-Benzothiadiazole

There total 25 articles about 2,1,3-Benzothiadiazole 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:
Guidance literature:
With thionyl chloride; triethylamine; In dichloromethane;
DOI:10.1016/j.dyepig.2015.09.021
Guidance literature:
With sodium tetrahydroborate; cobalt(II) chloride hexahydrate; In tetrahydrofuran; ethanol; for 0.5h; Reflux;
DOI:10.1039/d0cc07471c
Refernces

Polarography of some 2,1,3 benzothiadiazoles, benzofurazans, 2,1,3 benzoselenadiazoles, and 3,4 disubstituted and fused 1,2,5 thiadiazoles

10.1002/jhet.5570110519

The research aimed to investigate the redox behavior of various heterocyclic compounds, specifically 2,1,3-benzothiadiazoles, benzofurazans, 2,1,3-benzoselenadiazoles, and 3,4-disubstituted and fused 1,2,5-thiadiazoles, in acetonitrile solutions using mercury and platinum electrodes. The study focused on derivatives containing alkyl, phenyl, bromo, chloro, cyano, nitro, methylsulfonyl, and trifluoromethylsulfonyl groups. The findings indicated that all ring systems and their derivatives were reversibly reduced initially in a one-electron step to their respective radical anions, with the exception of nitro and bromo derivatives, which were reduced preferentially at the substituent group. The research concluded that the potential at which the production of the radical anion occurred became more anodic as the electron-withdrawing ability of the substituent and the number of substituents increased, providing insights into the redox behavior of these compounds and their potential applications in artificial media as electron-transfer agents for ATP synthesis.

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