4,7-Dibromo-2,1,3-benzothiadiazole - ≥98% , CAS No.15155-41-6

CAS: 15155-41-6 Cat. No.: D102051 Peso molecular: 293.97 Beilstein Registry Number: 27(4)7119 Número EC: 629-084-2

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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190803
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190803
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=C(C2=NSN=C2C(=C1)Br)Br
• WGK Alemania: 3
• Número ONU: 2811
• Peso molecular: 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
    • Clase Benzothiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in toluene.
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 186-190°C
• Peso molecular: 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

Referencias

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2. Yuanzuo Zou, Jingzhou Guo, Yinglu Liu, Yudi Du, Yuan Pu, Dan Wang.  (2023)  Process intensified synthesis of luminescent poly(9,9-dioctylfluorene-alt-benzothiadiazole) and polyvinyl alcohol based shape memory polymeric nanocomposite sensors toward cold chain logistics information monitoring.  Polymer Chemistry,  14  (11): (1275-1281).  [PMID:] [10.1039/D2PY01588A]

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