2，6-Dibromodithieno[3，2-b:2’，3’-d]thiophene - ≥97% , CAS No.67061-69-2

CAS: 67061-69-2 Cat. No.: D133978 Molecular Weight: 354.09 EC Number: 684-720-6

GRADE & PURITY ≥97%

Synonyms

4,10-dibromo-3,7,11-trithiatricyclo[6.3.0.0^{2,6]undeca-1(8),2(6),4,9-tetraene | SB66789 | DTXSID40464223 | DS-4126 | 2,6-Dibromodithieno[3,2-b:2',3'-d]thiophene, >97% | UTKPZZGBROTDKR-UHFFFAOYSA-N | 4,10-dibromo-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4, 10-dibromo-3, 7, 11-trithiatricyclo[6.3.0.0^{2, 6]undeca-1(8), 2(6), 4, 9-tetraene | SB66789 | DTXSID40464223 | DS-4126 | 2, 6-Dibromodithieno[3, 2-b:2', 3'-d]thiophene, >97% | UTKPZZGBROTDKR-UHFFFAOYSA-N | 4, 10-dibromo-3, 7, 11-trithiatricyclo[6.3.0.02, 6]undeca-1

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(SC2=C1SC3=C2SC(=C3)Br)Br
• IUPAC Name: 4,10-dibromo-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
• InChIKey: UTKPZZGBROTDKR-UHFFFAOYSA-N
• INCHI: 1S/C8H2Br2S3/c9-5-1-3-7(12-5)8-4(11-3)2-6(10)13-8/h1-2H
• Isomeric SMILES: C1=C(SC2=C1SC3=C2SC(=C3)Br)Br
• Molecular Weight: 354.09
• Reaxy-Rn: 4805474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4805474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiophenes
• Alternative Parents: 2,3,5-trisubstituted thiophenes Aryl bromides Heteroaromatic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienothiophene - 2,3,5-trisubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienothiophenes. These are organic compounds containing two thiophene rings fused to each other.
• 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: Heat & Light & Air sensitive
• Melt Point(°C): 171 °C
• Molecular Weight: 354.100 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 353.766 Da
• Monoisotopic Mass: 351.769 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 203.000
• 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