4-Bromodibenzothiophene

Basic Information

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CAS Number

97511-05-2

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

85.0 to 89.0 deg-C

Boiling Point

386.6℃ at 760 mmHg

Density

1.611

Flash Point

187.6 °C

SMILES

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

InChI

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

InChIKey

GJXAVNQWIVUQOD-UHFFFAOYSA-N

LogP

4.817000000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

218

Synonyms & References

English

4-Bromodibenzo[b,d]thiophene
4-Bromodibenzothiophene
4-bromo-Dibenzothiophene
Dibenzothiophene,4-bromo-
Dibenzothiophene, 4-bromo-
AK110516
dibenzo[b,d]thiophene, 4-bromo-
GJXAVNQWIVUQOD-UHFFFAOYSA-N
VT20280
FCH1334446
SY030030
BC005174
AX8095234
Y5819
ST24043487
B4449
4-Bromodibenzo[b,d]thiophene;Di
4-Bromodibenzothiophene (ACI)
GEO-02665
4-Bromodibenzo[b pound notd]thiophene
DB-028760
SCHEMBL232632
AKOS016008829
DS-4628
4-Bromodibenzo[b,d]thiophene;Dibenzothiophene, 4-romo-
MFCD02683746
6-BROMO-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE
4-Bromodibenzo[b,d]thiophene;Dibenzothiophene, 4-bromo-
InChI=1/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7
4-bromodibenzo[b,d]thiophene
W-200538

MDL Number

MFCD02683746

FAQ

What is 4-Bromodibenzothiophene (CAS: 97511-05-2)?

4-Bromodibenzothiophene is an organic compound with the chemical formula C12H9BrS. It is a brominated derivative of dibenzothiophene, characterized by its aromatic structure and sulfur-containing ring. This compound is commonly used in chemical research and has applications in various synthetic processes due to its reactivity and unique molecular properties.

What are the main uses of 4-Bromodibenzothiophene (CAS: 97511-05-2)?

4-Bromodibenzothiophene is primarily used in the synthesis of pharmaceuticals, agrochemicals, and materials science. It serves as an intermediate in the production of certain drugs and is also employed in research for studying chemical reactivity and functional group transformations. Its applications are supported by its structural versatility and stability in chemical reactions.

Is 4-Bromodibenzothiophene (CAS: 97511-05-2) safe?

4-Bromodibenzothiophene is considered potentially hazardous due to its chemical nature. It should be handled with appropriate protective equipment, such as gloves and goggles, and in a well-ventilated area. Safety standards recommend following OSHA guidelines and proper disposal protocols to minimize exposure and environmental impact.

How should 4-Bromodibenzothiophene (CAS: 97511-05-2) be stored?

4-Bromodibenzothiophene should be stored in a cool, dry, and dark place, preferably at 2-8°C. It requires airtight containers to prevent moisture and contamination. Avoid exposure to light and ensure storage in a well-ventilated area to maintain stability and safety.