2-Bromodibenzo[b,d]thiophene

Basic Information

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CAS Number

22439-61-8

Molecular Formula

C12H7BrS

Molecular Weight

263.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

123.0 to 129.0 deg-C

Boiling Point

387 ºC

Water Solubility

Slightly soluble in water.

Flash Point

188 ºC

Refractive Index

1.772

SMILES

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C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br

InChI

InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

InChIKey

IJICRIUYZZESMW-UHFFFAOYSA-N

LogP

4.817000000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

218

Synonyms & References

English

AC-27867
NSC172586
AM9750
dibenzo[b,d]thiophene, 2-bromo-
2-bromobenzo[b]benzo[b]thiophene
NSC-172586
AS-20055
Dibenzothiophene, 2-bromo-
2-bromo-dibenzothiophene
A847523
CS-W002357
2-Bromodibenzo[b,d]thiophene
B3525
SCHEMBL26685
EN300-705911
MFCD00089285
AKOS003618271
4-BROMO-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE
22439-61-8
SB66639
FT-0748990
4-bromo-8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
J-508517
2-bromo-dibenzo[b,d]thiophene
2-Bromodibenzothiophene
DTXSID80305909
2-BROMODIbenzo[b]thiophene
SY029345
2-bromo-Dibenzothiophene
Dibenzothiophene,2-bromo-
NULL

MDL Number

MFCD00089285

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8)?

2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8) is a solid with a melting point of 108-110°C. Its molecular weight is approximately 242.04 g/mol. It has low water solubility but is soluble in organic solvents such as methanol and dichloromethane. It is moderately reactive, particularly towards nucleophiles and bases. It does not readily undergo hydrolysis or photodegradation.

How is 2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8) typically synthesized?

2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8) is commonly synthesized via bromination of dibenzo[b,d]thiophene using N-bromosuccinimide (NBS) and a peroxide as a radical initiator. The reaction typically yields 85-90% purity with a yield of approximately 70-80%. The product is purified by recrystallization from an appropriate solvent.

What industries use 2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8)?

2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8) is primarily used in the pharmaceutical industry for the synthesis of various drug candidates, particularly those targeting specific receptors. It also finds applications in the semiconductor industry due to its electronic properties, and in the development of new organic materials and polymers for electronic devices.

What precautions should be taken when handling 2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8)?

When handling 2-Bromodibenzo[b,d]thiophene (CAS: 22439-61-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be handled with care using appropriate absorbent materials. Before disposal, check local regulations for proper waste management. Always refer to the material safety data sheet (MSDS) for detailed safety information.