3-bromoDibenzothiophene

Basic Information

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CAS Number

97511-04-1

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

97.0 to 101.0 deg-C

Density

1.611±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.8E-4 g/L) (25 ºC),

SMILES

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

InChI

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

InChIKey

FDPBPKDNWCZVQR-UHFFFAOYSA-N

LogP

4.817000000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

218

Synonyms & References

English

3-BROMODIBENZOTHIOPHENE
3-Bromodibenzo[b,d]thiophene
3-bromo-dibenzothiophene
FDPBPKDNWCZVQR-UHFFFAOYSA-N
3-Bromodibenzothiophene (ACI)
CS-0155956
SB66893
SY237587
AS-57871
SCHEMBL258838
F18747
5-BROMO-8-THIATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE
11-bromo-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6,10,12-hexaene
DA-21007
XDA51104
MFCD11052997
AKOS027322912
3-bromoDibenzothiophene
Dibenzothiophene,3-bromo-
97511-04-1
B5452
5-bromo-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2(7),3,5,10,12-hexaene

MDL Number

MFCD11052997

FAQ

What regulatory guidelines apply to 3-bromoDibenzothiophene (CAS: 97511-04-1)?

3-BromoDibenzothiophene (CAS: 97511-04-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties such as flammability, reactivity, and toxicity. Additionally, it is subject to the European Union's Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. The U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may also have specific requirements for handling and reporting of this compound.

Are there alternatives to 3-bromoDibenzothiophene in synthesis?

In synthesis, 3-bromoDibenzothiophene (CAS: 97511-04-1) may be replaced by other thiophene derivatives such as 2-bromoDibenzothiophene or 4-bromoDibenzothiophene, depending on the desired chemical properties. Other alternatives include using related thioarenes or thiophene isomers to achieve similar effects in the reaction pathways.

What is the market or research trend for 3-bromoDibenzothiophene?

The market for 3-bromoDibenzothiophene (CAS: 97511-04-1) is driven by its applications in the production of lubricants, rubber, and pharmaceuticals. Research trends focus on the development of more efficient synthetic methods and the exploration of its use in catalysis and functional materials. Environmental concerns and regulatory changes may also influence market dynamics and drive the search for greener alternatives.

How should waste containing 3-bromoDibenzothiophene be handled?

Waste containing 3-bromoDibenzothiophene (CAS: 97511-04-1) should be collected in sealed containers and stored in a well-ventilated area away from ignition sources. The waste should then be disposed of according to local regulations, which may include incineration or professional waste disposal services. Proper personal protective equipment (PPE) should be used during the handling and disposal process to ensure safety and compliance with environmental protection regulations.