2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate | CAS No. 634913-39-6

2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate

Basic Information

CAS Number

634913-39-6

Molecular Formula

C15H9ClF6NO5P

Molecular Weight

463.65 g/mol

AD

Basic Physical Properties

Clc1cc(c(OP(=O)(O)O)cc1)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H9ClF6NO5P/c16-9-1-2-12(28-29(25,26)27)11(6-9)13(24)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6H,(H,23,24)(H2,25,26,27)

InChIKey

WSHXPHFIHYXZKC-UHFFFAOYSA-N

LogP

5.101400000000003

Topological Polar Surface Area

95.86000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

620

Synonyms & References

English

  • 2-((3,5-bis(trifluoromethyl)phenyl)carbamoyl)-4-chlorophenyl dihydrogen phosphate
  • WSHXPHFIHYXZKC-UHFFFAOYSA-N
  • 2-{[3,5-bis(trifluoromethyl) phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate
  • [2-[[3,5-Bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] dihydrogen phosphate
  • AER-271

FAQ

What are the physical and chemical properties of 2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate (CAS: 634913-39-6)?

2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate is a crystalline solid with a molecular weight of approximately 653.03 g/mol. It has a low solubility in water and is highly reactive, especially under acidic conditions. This compound is not flammable but can react with strong bases. It is typically used in organic synthesis and pharmaceuticals due to its chemical stability and reactivity.

How is 2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate (CAS: 634913-39-6) typically synthesized?

2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate is typically synthesized via a multi-step process involving the condensation of 4-chloroacetophenone with 3,5-bis(trifluoromethyl)phenyl isocyanate. The reaction is carried out under acidic conditions and requires careful control of temperature and pH to achieve high selectivity and yield. Commonly used solvents include dichloromethane or acetonitrile.

What industries use 2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate (CAS: 634913-39-6)?

2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate is primarily used in pharmaceuticals for the synthesis of complex organic molecules. It is also utilized in the polymer industry for the production of advanced materials, and in the semiconductor industry for its use in etching processes. Additionally, it has applications in the development of sensors and other specialized chemical products.

What precautions should be taken when handling 2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate (CAS: 634913-39-6)?

When handling 2-{[3,5-Bis(trifluoromethyl)phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area, preferably in a fume hood, due to its reactivity. Spills should be handled with caution, and the Material Safety Data Sheet (MSDS) should be consulted for specific spill cleanup procedures. Ensure to work in a well-ventilated area at all times to avoid inhalation of any vapors.

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