4-Bromo-2-fluoro-1-(methylsulfanyl)benzene | CAS No. 221030-79-1

4-Bromo-2-fluoro-1-(methylsulfanyl)benzene

Basic Information

CAS Number

221030-79-1

Molecular Formula

C7H6BrFS

Molecular Weight

221.09 g/mol

AD

Basic Physical Properties

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

InChI

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

InChIKey

YHOVMTICYSGLFD-UHFFFAOYSA-N

LogP

3.310100000000001

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

  • (4-Bromo-2-fluorophenyl)(methyl)sulfane
  • 4-bromo-2-fluoro-1-methylsulfanylbenzene
  • 4-Bromo-2-fluorothioanisole
  • Benzene, 4-bromo-2-fluoro-1-(methylthio)-
  • 4-bromo-2-fluoro-1-methylsulfanyl-benzene
  • QC-5121

MDL Number

MFCD12756455

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 4-Bromo-2-fluoro-1-(methylsulfanyl)benzene (CAS: 221030-79-1)?

4-Bromo-2-fluoro-1-(methylsulfanyl)benzene (CAS: 221030-79-1) is a crystalline solid with a molecular weight of approximately 260.01 g/mol. It has a low water solubility of about 0.02 g/L and is moderately soluble in organic solvents like acetone and dichloromethane. The compound is stable under normal conditions but may react with strong bases. It is not flammable but poses a potential risk in high-temperature environments.

How is 4-Bromo-2-fluoro-1-(methylsulfanyl)benzene (CAS: 221030-79-1) typically synthesized?

4-Bromo-2-fluoro-1-(methylsulfanyl)benzene is typically synthesized through the bromination and sulfenation of 2-fluoro-1-(methylsulfanyl)benzene. This process involves the use of bromine and sodium hydrosulfide in a solvent like ethanol. The reaction is carried out under mild conditions to achieve good selectivity and yield. The exact method may vary depending on the availability of reagents and specific laboratory requirements.

What industries use 4-Bromo-2-fluoro-1-(methylsulfanyl)benzene (CAS: 221030-79-1)?

4-Bromo-2-fluoro-1-(methylsulfanyl)benzene (CAS: 221030-79-1) is primarily used in the pharmaceutical industry for the synthesis of complex organic compounds and in the chemical industry for the development of new materials. It is also used in the production of sensors and in semiconductor manufacturing due to its unique chemical properties.

What precautions should be taken when handling 4-Bromo-2-fluoro-1-(methylsulfanyl)benzene (CAS: 221030-79-1)?

When handling 4-Bromo-2-fluoro-1-(methylsulfanyl)benzene (CAS: 221030-79-1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for more detailed handling and disposal guidelines.

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