[1]Benzothieno[3,2-b][1]benzothiophene

Basic Information

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CAS Number

248-70-4

Molecular Formula

C14H8S2

Molecular Weight

240.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

218.0 to 222.0 deg-C

Solubility

Insuluble (2.1E-5 g/L) (25 ºC),

SMILES

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C1=CC=C2C(=C1)C3=C(S2)C4=CC=CC=C4S3

InChI

InChI=1S/C14H8S2/c1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13/h1-8H

InChIKey

NXCSDJOTXUWERI-UHFFFAOYSA-N

LogP

5.269200000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

250

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

[1]benzothieno[3,2-b]benzothiophene
AMY27173
NXCSDJOTXUWERI-UHFFFAOYSA-N
5,10-dithia-indeno[2,1-a]indene
Benzo[b]benzo[4,5]thieno[2,3-d]thiophene
DS-5774
SY100684
A877777
Thianaphtheno[3,2-b]thianaphthene
Benzothieno[3,2-b]benzothiophene
InChI=1/C14H8S2/c1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13/h1-8
[1]Benzothiopheno[3,2-b][1]benzothiophene
(1)Benzothieno(3,2-b)(1)benzothiophene
B5551
I12074
Benzo[b]thieno[3,2-b]benzo[b]thiophene
[1]Benzothieno[3,2-b][1]benzothiophene
DTXSID70179494
C14H8S2
FT-0699487
SCHEMBL430470
AKOS016000324
248-70-4
MFCD02114004
CS-0110612
[1]benzothiolo[3,2-b][1]benzothiole
BTBT

MDL Number

MFCD02114004

FAQ

What are the physical and chemical properties of Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4)?

Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4) is a crystalline compound with a molecular weight of approximately 213.24 g/mol. It has a low solubility in water but is soluble in organic solvents like dichloromethane and acetone. It is less reactive compared to other sulfur-containing compounds but can undergo substitution reactions under certain conditions. The compound is stable under normal conditions but should be handled with care due to the potential for decomposition at high temperatures.

How is Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4) typically synthesized?

Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4) is typically synthesized via a two-step process involving the reaction of benzothiophene with a brominating agent followed by a nucleophilic substitution reaction. The key steps involve the formation of a brominated intermediate and subsequent reaction with a butadienyl derivative or similar nucleophile. The yield and selectivity of the reaction can be enhanced through the use of appropriate catalysts and solvents.

What industries use Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4)?

Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4) is used in various industries, including pharmaceuticals for the development of certain drugs, polymers for manufacturing advanced materials, sensors for detecting gases, and semiconductors for electronic applications. Its unique structure makes it valuable for these applications due to its electronic and chemical properties.

What precautions should be taken when handling Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4)?

When handling Benzothieno[3,2-b][1]benzothiophene (CAS: 248-70-4), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spillage, handle with care and follow safety protocols. Always refer to the Safety Data Sheet (SDS) for detailed guidance on handling and disposal.