5-Bromo-1-benzothiophene

Basic Information

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CAS Number

4923-87-9

Molecular Formula

C8H5BrS

Molecular Weight

213.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

46.0 to 50.0 deg-C

Boiling Point

107°C/10mmHg

Density

1.649

Flash Point

105-107°C/10mm

Refractive Index

1.704

SMILES

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C1=CC2=C(C=CS2)C=C1Br

InChI

InChI=1S/C8H5BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H

InChIKey

RDSIMGKJEYNNLF-UHFFFAOYSA-N

LogP

3.663800000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

126

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

5-bromo-benzothiophene
FT-0620064
BENZO[B]THIOPHENE, 5-BROMO-
B3762
5-bromo-benzo[b]thiophene
5-BROMOBENZO[B]THIOPHENE
CS-W007558
5-bromobenzo[b]-thiophene
5-bromanyl-1-benzothiophene
EN300-98591
A7368
5-bromo-1-benzothiophene, AldrichCPR
4923-87-9
5-Bromobenzothiophene
AKOS000282614
SY021599
SCHEMBL226062
MFCD03069318
A827685
5-bromo-1-benzothiophene
DTXSID40964192
PB18576
AM20060368
PS-7976
5-Bromobenzo[b]thiophene
5-Bromothianaphthene
5-Bromo-1-benzothiophene
Benzo[b]thiophene, 5-bromo-
zlchem 181
PubChem7752
PubChem15353

MDL Number

MFCD03069318

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Bromo-1-benzothiophene (CAS: 4923-87-9)?

5-Bromo-1-benzothiophene is a solid with a crystalline form. Its molecular weight is approximately 213.03 g/mol. It is slightly soluble in common organic solvents. Reactively, it is stable under standard conditions but can undergo electrophilic aromatic substitution reactions. It is also prone to photodegradation.

How is 5-Bromo-1-benzothiophene (CAS: 4923-87-9) typically synthesized?

5-Bromo-1-benzothiophene is usually synthesized via bromination of 1-benzothiophene using bromine in the presence of a Lewis acid catalyst such as aluminum tribromide. The reaction typically yields a pure product with good selectivity and moderate to high yield.

What industries use 5-Bromo-1-benzothiophene (CAS: 4923-87-9)?

5-Bromo-1-benzothiophene is used in the pharmaceutical industry for the synthesis of bioactive compounds and in semiconductor industry for the production of electronics materials. It is also relevant in polymer and sensor applications due to its aromatic and thienyl characteristics.

What precautions should be taken when handling 5-Bromo-1-benzothiophene (CAS: 4923-87-9)?

When handling 5-Bromo-1-benzothiophene, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store it in a well-ventilated area, away from direct sunlight and heat sources. In case of spill, immediately contain and clean up using appropriate absorbents, and consult the Material Safety Data Sheet (MSDS) for further instructions.