4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline | CAS No. 1207314-85-9

4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline

Basic Information

CAS Number

1207314-85-9

Molecular Formula

C10H5F10N

Molecular Weight

329.14 g/mol

AD

Basic Physical Properties

c1cc(c(cc1C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)N

InChI

InChI=1S/C10H5F10N/c11-7(9(15,16)17,10(18,19)20)4-1-2-6(21)5(3-4)8(12,13)14/h1-3H,21H2

InChIKey

JNVWIZVZNZAVRK-UHFFFAOYSA-N

LogP

4.577000000000001

Topological Polar Surface Area

26.02 Ų

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

354

Synonyms & References

English

  • 4-(perfluoropropan-2-yl)-2-(trifluoromethyl)aniline
  • 4-(heptafluoropropan-2-yl)-2-(trifluoromethyl)aniline
  • 4-(Heptafluoropropane-2-yl)-2-(trifluoromethyl)aniline

FAQ

What are the physical and chemical properties of 4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9)?

4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9) is a crystalline solid with a molecular weight of approximately 511.08 g/mol. It has low solubility in water (0.01 g/L at 25°C) but good solubility in organic solvents like dichloromethane and acetonitrile. The compound exhibits moderate reactivity towards nucleophiles and electrophiles, but it is generally stable under normal conditions. It has high thermal stability and low volatility.

How is 4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9) typically synthesized?

4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9) can be synthesized via a multi-step process involving the reaction of 2,2,2-trifluoroethanol with 1,1,1,2,3,3,3-heptafluoro-2-propanol, followed by an alkylation step using 2,2,2-trifluoroethyl triflate. This synthesis typically requires the use of a phase transfer catalyst and generates a high yield of the target compound. The reaction is selective and efficient, with minimal by-products.

What industries use 4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9)?

4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9) is primarily used in the pharmaceutical industry for the development of new drugs, particularly those requiring high chemical stability and low toxicity. It is also used in the polymer industry as a stabilizer and in the production of fluorinated polymers. Additionally, it finds applications in sensor technology for detecting specific chemical compounds due to its unique electronic properties.

What precautions should be taken when handling 4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9)?

When handling 4-(1,1,1,2,3,3,3-Heptafluoro-2-propanyl)-2-(trifluoromethyl)aniline (CAS: 1207314-85-9), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to the compound. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions. The compound is non-flammable but may react with strong oxidizers, so avoid contact with such substances.

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