2-(4-Bromophenyl)-5-phenylthiophene

Basic Information

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CAS Number

118621-30-0

Molecular Formula

C16H11BrS

Molecular Weight

315.24 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

189.0 to 193.0 deg-C

Boiling Point

409.7±30.0 °C at 760 mmHg

Flash Point

201.6±24.6 °C

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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Brc1ccc(cc1)c1ccc(s1)c1ccccc1

InChI

InChI=1S/C16H11BrS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11H

InChIKey

YMDCOEOZWHXGTM-UHFFFAOYSA-N

LogP

5.844600000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

254

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

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

Synonyms & References

English

2-(4-bromophenyl)-5-phenylThiophene
2-Phenyl-5-(4-bromophenyl)thiophene
2-(4-Bromophenyl)-5-phenyl thiophene
AK402301
B5491
2-(4-Bromophenyl)-5-phenylthiophene

MDL Number

MFCD21648452

FAQ

What are the physical and chemical properties of 2-(4-Bromophenyl)-5-phenylthiophene (CAS: 118621-30-0)?

2-(4-Bromophenyl)-5-phenylthiophene is a crystalline solid with a molecular weight of approximately 274.06 g/mol. It has low water solubility and moderate solubility in common organic solvents like dichloromethane and chloroform. This compound exhibits reduced reactivity compared to its parent thiophene, showing limited electrophilic substitution reactivity due to its bulky nature.

How is 2-(4-Bromophenyl)-5-phenylthiophene (CAS: 118621-30-0) typically synthesized?

2-(4-Bromophenyl)-5-phenylthiophene is synthesized via the reaction of 4-bromophenylacetylene with phenyl sulfide under palladium-catalyzed coupling conditions. The synthesis typically involves a cross-coupling reaction with excellent yield and selectivity, making it a suitable method for producing this compound.

What industries use 2-(4-Bromophenyl)-5-phenylthiophene (CAS: 118621-30-0)?

2-(4-Bromophenyl)-5-phenylthiophene is utilized in the pharmaceutical industry for its potential as a precursor in drug synthesis. It is also employed in the semiconductor industry for fabricating organic thin-film transistors and photovoltaic devices. Additionally, it has applications in the polymer industry for developing novel materials with specific electronic properties.

What precautions should be taken when handling 2-(4-Bromophenyl)-5-phenylthiophene (CAS: 118621-30-0)?

When handling 2-(4-Bromophenyl)-5-phenylthiophene, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize inhalation exposure. Spills should be cleaned up using appropriate absorbent materials and disposing of the waste according to local regulations. For detailed safety information, refer to the Material Safety Data Sheet (MSDS/SDS).