Pentafluorophenyl formate | CAS No. 111333-97-2

Pentafluorophenyl formate

Basic Information

CAS Number

111333-97-2

Molecular Formula

C7H3F5O3

Molecular Weight

230.09 g/mol

AD

Basic Physical Properties

Boiling Point

154.5±40.0 ºC (760 Torr),

Flash Point

52.5±29.6 ºC,

Refractive Index

1.4240 (25 ºC)

C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C6HF5O.CH2O2/c7-1-2(8)4(10)6(12)5(11)3(1)9;2-1-3/h12H;1H,(H,2,3)

InChIKey

GSMNILQZPDRJHY-UHFFFAOYSA-N

LogP

1.7885

Topological Polar Surface Area

57.53 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

198

Synonyms & References

English

  • pentafluorophenyl Formate
  • formic acid,2,3,4,5,6-pentafluorophenol
  • Pentafluorophenyl Forme
  • SCHEMBL392504
  • AKOS040767417
  • C93408
  • MFCD25955553
  • 111333-97-2
  • formic acid pentafluorophenyl ester
  • pentafluorophenyl formate
  • Perfluorophenyl formate
  • DB-255929
  • NOQPJZHAGRHCFW-UHFFFAOYSA-N
  • 2,3,4,5,6-pentafluorophenyl formate
  • (2,3,4,5,6-pentafluorophenyl) formate

MDL Number

MFCD25955553

FAQ

What regulatory guidelines apply to Pentafluorophenyl formate (CAS: 111333-97-2)?

Pentafluorophenyl formate (CAS: 111333-97-2) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA regulations in the United States. It is important to follow local and international regulations for handling, storage, and disposal to ensure safety and compliance.

Are there alternatives to Pentafluorophenyl formate (CAS: 111333-97-2) in synthesis?

Alternatives to Pentafluorophenyl formate (CAS: 111333-97-2) in synthesis include other fluoroformates and other reactive fluorinated molecules. Common alternatives include trifluoromethyl formate and perfluoroalkyl formates, which may offer similar reactivity but with different handling and safety considerations.

What is the market or research trend for Pentafluorophenyl formate (CAS: 111333-97-2)?

The market for Pentafluorophenyl formate (CAS: 111333-97-2) is driven by its use in organic synthesis, particularly in fluorochemistry. Recent research trends focus on its application in drug discovery, materials science, and environmental chemistry. Market trends indicate increasing demand due to its unique reactivity and properties in these fields.

How should waste containing Pentafluorophenyl formate (CAS: 111333-97-2) be handled?

Waste containing Pentafluorophenyl formate (CAS: 111333-97-2) should be handled with care due to its flammability and potential environmental impact. Collection should be done in appropriate containers, and incineration or professional waste disposal services should be used. Environmental protection measures include ensuring no release to the atmosphere and proper documentation of waste disposal to comply with local regulations.

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