GRADE & PURITY ≥98%

Synonyms

4,7-dibromobenzo[1,2,5]thiadiazole | 4,7-Dibromo-benzo[1,2,5]thiadiazole | 4,7-Dibromobenzo[c]-1,2,5-thiadiazole, 95% | AA-516/25012139 | BCP32355 | D3842 | AKOS003232323 | 4,7-Dibromo-benzo[1,2,5]thiadiazol | 4,7-DIBROMO-2,1,3-BENZOTHIDIAZOLE | 2,1,3-Ben

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used as monomer for synthesis of light-emitting and conducting polymers for organic electronics.

Specifications

Synonyms

4, 7-dibromobenzo[1, 2, 5]thiadiazole | 4, 7-Dibromo-benzo[1, 2, 5]thiadiazole | 4, 7-Dibromobenzo[c]-1, 2, 5-thiadiazole, 95% | AA-516/25012139 | BCP32355 | D3842 | AKOS003232323 | 4, 7-Dibromo-benzo[1, 2, 5]thiadiazol | 4, 7-DIBROMO-2, 1, 3-BENZOTHIDIAZOLE | 2, 1, 3-Ben

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190803
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190803
• Canonical Smiles: C1=C(C2=NSN=C2C(=C1)Br)Br
• IUPAC Name: 4,7-dibromo-2,1,3-benzothiadiazole
• InChIKey: FEOWHLLJXAECMU-UHFFFAOYSA-N
• INCHI: 1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
• Isomeric SMILES: C1=C(C2=NSN=C2C(=C1)Br)Br
• WGK Germany: 3
• UN Number: 2811
• Molecular Weight: 293.97
• Beilstein: 27(4)7119
• Reaxy-Rn: 135797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135797&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiadiazoles
• Alternative Parents: Benzenoids Aryl bromides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,1,3-benzothiadiazole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in toluene.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 186-190°C
• Molecular Weight: 293.970 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 293.829 Da
• Monoisotopic Mass: 291.831 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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9. Mengyuan Lv, Minghao Zhai, Yunlong Zang, Ziyu Zhuang, Xinying Lv, Wanan Cai, Haijun Niu, Tingting Zhou, Wen Wang.  (2024)  Bifunctionalized polyamides based on quinoxaline structure for durable electrochromic display and memory storage.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.113012]

10. Xiaojing Lv, Chunyan Liu, Mingfa Shao, Jin Li, Minao Xia, Jiankun Cui, Juncheng Dong, Mi Ouyang, Cheng Zhang.  (2024)  Full color control and patterned display device from cyan/magenta/yellow water-dispersed electrochromic polymer nanoparticles systems.  NANOTECHNOLOGY,  35  (36): (365201).  [PMID:38710176] [10.1088/1361-6528/ad47cd]

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