(Benzo(1,2-b:4,5-b)dithiophene-4,8-dione)

HCID 288478CAS 32281-36-0

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Grundinformationen

Standard-SMILES: O=C1c2ccsc2C(=O)c2ccsc21
InChIKey: SIUXRPJYVQQBAF-UHFFFAOYSA-N
Summenformel: C10H4O2S2
Durchschnittliche Molmasse: 220,3 g/mol
Monoisotopische Masse: 219,96527137

Namen und Bezeichner

Bevorzugter Name: (Benzo(1,2-b:4,5-b)dithiophene-4,8-dione)
IUPAC: thieno[2,3-f][1]benzothiole-4,8-dione
Englischer Name: Benzo[1,2-b:4,5-b']dithiophene-4,8-dione
Summenformel: C10H4O2S2
Molmasse: 220.27

Namen und Synonyme

benzo[1,2-b:4,5-b']dithiophene-4,8-dione32281-36-0(Benzo(1,2-b:4,5-b)dithiophene-4,8-dione)NSC 149690G1C271HP09NSC-149690UNII-G1C271HP09DTXSID00186030{Benzo[1,2-b:4,5-b]dithiophene-4,8-dione}BENZO(1,2-B:4,5-B')DITHIOPHENE-4,8-DIONE4,8-DIHYDROBENZO(1,2-B:4,5-B')DITHIOPHENE-4,8-DIONE4,10-dithiatricyclo[7.3.0.0^3,7^]dodeca-1(9),3(7),5,11-tetraene-2,8-dione

Weitere Namen anzeigen

BDTONAILNmrkLy-90SLAMF44,5-b']dithiophene-4,8-dione

4,8-Dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione4,10-dithiatricyclo(7.3.0.0^3,7^)dodeca-1(9),3(7),5,11-tetraene-2,8-dioneRefChem:69873DTXCID10108521thieno[2,3-f][1]benzothiole-4,8-dioneMFCD01927240thieno[2,3-f]benzothiophene-4,8-dioneNSC149690

Datenbank-Bezeichner

CAS: 32281-36-0
PubChem CID: 288478
DTXSID: DTXSID00186030
ChEMBL: CHEMBL358186
UNII: G1C271HP09
Nikkaji: J633.591H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 90,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 272

Physikochemische Eigenschaften

Schmelzpunkt: 260 · 260-262℃
Siedepunkt: 408 · 408.0±35.0 °C(Predicted)
Dichte: 1.595 · 1.595
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Amber to Dark green
InChI: InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H
InChIKey: SIUXRPJYVQQBAF-UHFFFAOYSA-N
SMILES: C12C(=O)C3C=CSC=3C(=O)C=1C=CS2

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
hs_code: 29349990
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungBenzo[1,2-b:4,5-b’]dithiophene is a planar symmetrical molecular structure of the thiophene derivative, enabling a better π-πstacking and good electron delocalization that encourages charge transport. In recent years, it has been intensively studied for the application of OFETs and OPVs. The incorporation of a low-band-gap unit into the benzo[1,2-b:4,5-b’]dithiophene unit could potentially result in a red-shifted absorption due to its electron-rich properties. Benzo[1,2-b:4,5-b’]dithiophene can be chemically modified to fine-tune its chemical structure and electron properties (e.g. band gap), energy levels, and charge mobility of the small molecule/polymers of interest (at a molecular level).

Verwendensuzuki reaction