2-Bromo-4-fluorothioanisole

Basic Information

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CAS Number

91524-70-8

Molecular Formula

C7H6BrFS

Molecular Weight

221.09 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CSC1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C7H6BrFS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

InChIKey

XQGBAFLNAQHQNY-UHFFFAOYSA-N

LogP

3.310100000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

110

Synonyms & References

English

(2-Bromo-4-fluorophenyl)(methyl)sulfane
2-bromo-4-fluoro-1-methylsulfanylbenzene
2-Bromo-4-fluorothioanisole
Benzene,2-bromo-4-fluoro-1-(methylthio)-
2-Bromo-4-fluoro-1-(methylthio)benzene (ACI)
1-Bromo-5-fluoro-2-methylsulfanylbenzene
2-Bromo-4-fluoro-1-(methylsulfanyl)benzene
2-Bromo-4-fluoro-1-methylsulfanylbenzene
2-bromo-4-fluoro-1-methylsulfanyl-benzene
2-bromo-4-fluoro-1-(methylsulfanyl)benzene
STL557878
91524-70-8
SCHEMBL2714643
AS-39203
XQGBAFLNAQHQNY-UHFFFAOYSA-N
AC-30574
GEO-04054
AKOS015835307
CS-0186041
2-Bromo-4-fluoro-1-(methylthio)benzene
MFCD09801042
BBL104064
DTXSID50449682

MDL Number

MFCD09801042

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2-Bromo-4-fluorothioanisole (CAS: 91524-70-8)?

2-Bromo-4-fluorothioanisole (CAS: 91524-70-8) is a crystalline solid with a molecular weight of approximately 245.01 g/mol. It has a limited water solubility and is poorly soluble in common organic solvents like ethanol and acetone. The compound is known for its reactivity, particularly towards nucleophiles and electrophiles, and it can undergo bromination and thioether reactions.

How is 2-Bromo-4-fluorothioanisole (CAS: 91524-70-8) typically synthesized?

2-Bromo-4-fluorothioanisole is typically synthesized via the bromination of 4-fluorothioanisole using bromine in the presence of pyridine as a base. The reaction is carried out in a solvent such as dichloromethane. The process involves the electrophilic attack of bromine on the anisole moiety, yielding a high yield of the desired product with good selectivity.

What industries use 2-Bromo-4-fluorothioanisole (CAS: 91524-70-8)?

2-Bromo-4-fluorothioanisole (CAS: 91524-70-8) is primarily used in the pharmaceutical industry for the synthesis of complex organic compounds. It is also utilized in the polymer industry for the modification of polymer properties. Additionally, it has applications in the production of sensors and in semiconductor manufacturing processes related to material science.

What precautions should be taken when handling 2-Bromo-4-fluorothioanisole (CAS: 91524-70-8)?

When handling 2-Bromo-4-fluorothioanisole (CAS: 91524-70-8), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat to protect against skin and eye contact. Work should be conducted in a well-ventilated area or fume hood. In case of a spill, immediately clean up using appropriate cleaning agents and refer to the safety data sheet (SDS) for detailed instructions. Ensure proper storage in a cool, dry place away from oxidizing agents and other incompatible chemicals.