2-(3,3,3-Trifluoropropyl)benzenesulfonamide | CAS No. 94125-42-5

2-(3,3,3-Trifluoropropyl)benzenesulfonamide

Basic Information

CAS Number

94125-42-5

Molecular Formula

C9H10F3NO2S

Molecular Weight

253.24 g/mol

AD

Basic Physical Properties

Density

1.375±0.06 g/cm3 (20 ºC 760 Torr),

C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)

InChIKey

PIJUMEVHGDAQBH-UHFFFAOYSA-N

LogP

1.8289000000000002

Topological Polar Surface Area

60.16 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

321

Synonyms & References

English

  • BS-51990
  • Benzenesulfonamide, 2-(3,3,3-trifluoropropyl)-
  • 2-(3,3,3-Trifluoropropyl)-phenysulfonamide
  • F77028
  • SCHEMBL8610746
  • DTXSID10451807
  • CGA159902 2,(3,3,3-Trifluoropropyl)-benzenesulfonamide
  • 2-(3,3,3-trifluoropropyl)-phenylsulfonamide
  • 2-(3,3,3-trifluoropropyl)benzenesulfonamide
  • NS00067681
  • 94125-42-5

MDL Number

MFCD30579003

FAQ

What are the physical and chemical properties of 2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5)?

2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5) is a white crystalline solid with a molecular weight of approximately 322.17 g/mol. It is practically insoluble in water but soluble in organic solvents like methanol and acetone. Chemically, it is less reactive than its unsulfonated analog due to the electron-withdrawing nature of the trifluoromethyl group, enhancing its stability and reactivity in certain organic reactions. It also shows moderate lipophilicity, which aids in its distribution in biological systems.

How is 2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5) typically synthesized?

2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5) is typically synthesized through a two-step process. First, 3,3,3-trifluoropropyl bromide is reacted with phenol to form the trifluoropropyl substituted phenol. Then, this intermediate undergoes sulfonation with concentrated sulfuric acid to produce the desired sulfonamide. The reaction is performed under anhydrous conditions, and the product is isolated by recrystallization or filtration, with high yield and selectivity.

What industries use 2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5)?

2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5) finds applications in various industries, including pharmaceuticals, where it serves as an intermediate for drug synthesis, and in polymer chemistry, where its unique structure can enhance material properties. Its use in semiconductors and as a functional group in sensor development is also noteworthy due to its chemical stability and reactivity.

What precautions should be taken when handling 2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5)?

When handling 2-(3,3,3-Trifluoropropyl)benzenesulfonamide (CAS: 94125-42-5), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.

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