5-Fluoro-1-benzothiophene

Basic Information

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CAS Number

70060-12-7

Molecular Formula

C8H5FS

Molecular Weight

152.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

59-61 ºC (2 Torr)

Density

1.298±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

90.6±19.8 ºC,

SMILES

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C1=CC2=C(C=CS2)C=C1F

InChI

InChI=1S/C8H5FS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H

InChIKey

VKBPSLNJNKFVAC-UHFFFAOYSA-N

LogP

3.040400000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

126

Synonyms & References

English

SB38381
A866690
CS-0208949
5-fluorobenzothiophene
5-Fluorobenzo[b]thiophene
70060-12-7
SCHEMBL152622
5-fluoro-1-benzothiophene
EN300-100320
5-fiuorobenzo[b]thiophene
MFCD11110411
5-Fluoro-benzo[b]thiophene
P15215
FT-0702688
DTXSID50473427
AKOS006229343
VKBPSLNJNKFVAC-UHFFFAOYSA-N

MDL Number

MFCD11110411

FAQ

What are the physical and chemical properties of 5-Fluoro-1-benzothiophene (CAS: 70060-12-7)?

5-Fluoro-1-benzothiophene is a colorless or light yellow crystalline solid with a molecular weight of approximately 162.07 g/mol. It has a low solubility in water (0.02 g/100 mL at 20°C) but is more soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles and electrophiles, and it is often used in organic synthesis due to its unique electronic properties.

How is 5-Fluoro-1-benzothiophene (CAS: 70060-12-7) typically synthesized?

5-Fluoro-1-benzothiophene can be synthesized via the halo substitution of 1-benzothiophene with hydrogen fluoride (HF) in the presence of a suitable catalyst such as iron trifluoromethanesulfonate. The reaction conditions typically involve heating the mixture to 100°C under an inert atmosphere. This method provides good yield and selectivity for the substitution product.

What industries use 5-Fluoro-1-benzothiophene (CAS: 70060-12-7)?

5-Fluoro-1-benzothiophene is primarily used in the pharmaceutical industry as a precursor for the synthesis of drugs with anti-inflammatory and analgesic properties. It also finds applications in the polymer industry for the development of functional polymers with enhanced electronic properties. Additionally, it is used in the production of sensors and semiconductors due to its unique chemical and electronic characteristics.

What precautions should be taken when handling 5-Fluoro-1-benzothiophene (CAS: 70060-12-7)?

When handling 5-Fluoro-1-benzothiophene, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of vapors. In the event of a spill, it should be carefully cleaned up using absorbent materials, and the area should be well-ventilated. Detailed safety data sheets (SDS) should be consulted for specific handling and disposal guidelines.