Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

Product Name	Benzo[1,2-b:4,5-b’]dithiophene-4,8-dione
IUPAC Name	thieno[2,3-f][1]benzothiole-4,8-dione
Molecular Structure
CAS Registry Number	32281-36-0
EINECS Number	No data available
MDL Number	MFCD01927240
Beilstein Registry Number	No data available
Synonyms	4,8-dihydrobenzo[1,2-b:4,5-b’]dithiophene-4,8-dionebenzo[1,2-b:4,5-b’]dithiophene-4,8-dionebenzo[1,2-b:4,5-b′]dithiophene-4,8-dione4,8-dihydrobenzo[1,2-b:4,5-b’]dithiophen-4,8-dione4,8-dehydrobenzo[1,2-b:4,5-b’]dithiophene-4,8-dionebenzo[1,2-b:4,5-b’]dithiophene-4,8-dione4,8-dehydrobenzo[1,2-b:4,5-b′]dithiophene-4,8-dione
Molecular Formula	C10H4O2S2
Molecular Weight	220.260
InChI	InChI=1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H
InChI Key	SIUXRPJYVQQBAF-UHFFFAOYSA-N
Canonical SMILES	O=C1c2ccsc2C(=O)c2ccsc21

Patent Information
Patent ID	Title	Publication Date
CN114369081	Perdeuterated thiophene compound, preparation method thereof, organic intermediate and organic electroluminescent device	2022
US2015/28265	CONJUGATED POLYMERS FOR ELECTRONIC DEVICES	2015

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Physical Data

Appearance	White to light yellow green to greyish yellow green powder
Solubility	No data available
Flash Point	No data available
Refractive index	No data available
Sensitivity	No data available

Melting Point, °C

258 – 260

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Spectra

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)	Frequency (NMR Spectroscopy), MHz
Spectrum	1H	chloroform-d1
Chemical shifts, Spectrum	1H	chloroform-d1	400

Benzo[1,2-b:4,5-b’]dithiophene-4,8-dione CAS#: 32281-36-0 NMR

Description (IR Spectroscopy)	Solvent (IR Spectroscopy)
Bands, Spectrum	potassium bromide
IR

Description (Mass Spectrometry)
GCMS (Gas chromatography mass spectrometry)
spectrum

Description (UV/VIS Spectroscopy)

UV/VIS

Description (Raman Spectroscopy)

Bands, Spectrum

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Route of Synthesis (ROS)

Conditions	Yield
With n-butyllithium In tetrahydrofuran at 0 – 20℃; Temperature; Inert atmosphere;	86.1%
With n-butyllithium In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Cooling with ice;	80%
With n-butyllithium In tetrahydrofuran at 0℃;	80%

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Safety and Hazards

GHS Hazard Statements

Not Classified

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Other Data

Transportation	NONH for all modes of transport
	Under the room temperature and away from light
HS Code	No data available
Storage	Under the room temperature and away from light
Shelf Life	1 year
Market Price	USD

Druglikeness
Lipinski rules component
Molecular Weight	220.273
logP	1.534
HBA	2
HBD	0
Matching Lipinski Rules	4
Veber rules component
Polar Surface Area (PSA)	90.62
Rotatable Bond (RotB)	0
Matching Veber Rules	2

Use Pattern

Benzo[1,2-b:4,5-b′]dithiophene-4,8-dione (BDD, CAS 32281-36-0) is an electron-deficient building block widely used in organic electronic materials. It serves as a core unit in conjugated polymers for applications such as organic photovoltaics (OPVs), organic field-effect transistors (OFETs), and other optoelectronic devices. The diketone and fused dithiophene structure provide strong electron-withdrawing ability, planarity, and favorable molecular packing, enabling the development of low-bandgap polymers with enhanced charge transport and device efficiency.

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