2,5-Dibromo-3,4-ethylenedioxythiophene - ≥98% , CAS No.174508-31-7

CAS: 174508-31-7 Cat. No.: D123915 Molecular Weight: 299.97 EC Number: 803-069-2

GRADE & PURITY ≥98%

Synonyms

2,5-Dibromo-3,4-ethylenedioxythiophene, 95% | A811650 | AMY10871 | D4056 | 2,5-Dibromo-3,4-ethylenedioxythiophene, 97% | 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine | SCHEMBL1413215 | PS-7132 | FHMRWRBNAIDRAP-UHFFFAOYSA-N | Thieno[3,4-b]-1,4-dioxin,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

general description：

2,5-Dibromo-3,4-ethylenedioxythiophene (DBEDOT) is a monomer which is used in the synthesis of highly conducting poly(3,4-ethylenedioxythiophene) (PEDOT) polymer. This polymer is formed by solid-state polymerisation of DBEDOT and is used widely in organic-light emitting diodes and polymer field effect transistors. DBEDOT is a well-ordered crystalline monomer and produces PEDOT polymer which has a high degree of order.

application：

Used as a monomer in the synthesis of poly(3,4-ethylenedioxythiophene) (PEDOT) polymer which are used in electrochromic devices.

Specifications

Synonyms

2, 5-Dibromo-3, 4-ethylenedioxythiophene, 95% | A811650 | AMY10871 | D4056 | 2, 5-Dibromo-3, 4-ethylenedioxythiophene, 97% | 5, 7-dibromo-2, 3-dihydrothieno[3, 4-b][1, 4]dioxine | SCHEMBL1413215 | PS-7132 | FHMRWRBNAIDRAP-UHFFFAOYSA-N | Thieno[3, 4-b]-1, 4-dioxin,

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762758
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762758
• Canonical Smiles: C1COC2=C(SC(=C2O1)Br)Br
• IUPAC Name: 5,7-dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine
• InChIKey: FHMRWRBNAIDRAP-UHFFFAOYSA-N
• INCHI: 1S/C6H4Br2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2
• Isomeric SMILES: C1COC2=C(SC(=C2O1)Br)Br
• Molecular Weight: 299.97
• Reaxy-Rn: 8902115
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8902115&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Para dioxins Aryl bromides Thiophenes Heteroaromatic compounds Oxacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Para-dioxin - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Sensitivity: Heat Sensitive
• Melt Point(°C): 96 °C
• Molecular Weight: 299.970 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 299.828 Da
• Monoisotopic Mass: 297.83 Da
• Topological Polar Surface Area: 46.700 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

1. Jianhong Xu, Wenxiao Zhang, Haobo Yuan, Ting Shu, Yunjie Mao, Jun Liu, Qiang Weng, Tengyi You, Yunfei Li, Bo Feng, Xuemin Guo, Zhengbo Cui, Wen Li, Sheng Fu, Xiaodong Li, Xiaohong Chen, Junfeng Fang.  (2026)  Enhancing Photo-Stability of All-Perovskite Tandem Solar Cells via In Situ Construction PEDOT Hole Transport Channels.  ADVANCED MATERIALS,      [PMID:] [10.1002/adma.202522790]