Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate | CAS No. 116543-91-0

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

Basic Information

CAS Number

116543-91-0

Molecular Formula

C11H7FO4

Molecular Weight

222.17 g/mol

AD

Basic Physical Properties

Melting Point

137-143 °C

Boiling Point

320.9±42.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

143.0±22.8 °C

Vapor Pressure

0.0±0.7 mmHg at 25°C

COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)F

InChI

InChI=1S/C11H7FO4/c1-15-11(14)10-5-8(13)7-4-6(12)2-3-9(7)16-10/h2-5H,1H3

InChIKey

IWYHARNYXQFPOB-UHFFFAOYSA-N

LogP

1.7187

Topological Polar Surface Area

56.510000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

350

Synonyms & References

English

  • methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate
  • 4H-1-benz<wbr>
  • LogP
  • METHYL 6-FLUOROCHROMONE-2-CARBOXYLATE
  • 6-Fluorochromone-2-carboxylic acid methyl ester
  • Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate
  • Methyl 6-fluorochroMone-2-carboxylate
  • 116543-91-0
  • METHYL 6-FLUORO-4-OXO-4H-CHROMENE-2-CARBOXYLATE
  • Methyl 6-fluoro-4-oxo-4H-1-benzopyran-2-carboxylate
  • SCHEMBL9685165
  • Methyl 6-fluorochromone-2-carboxylate
  • METHYL 6-FLUORO-4-OXOCHROMENE-2-CARBOXYLATE
  • methyl-6-fluoro-4-oxo-4H-benzopyran-2-carboxylate
  • DTXSID60555687
  • MFCD03789284
  • IWYHARNYXQFPOB-UHFFFAOYSA-N
  • 4H-1-Benzopyran-2-carboxylic acid, 6-fluoro-4-oxo-, methyl ester

MDL Number

MFCD03789284

FAQ

What are the physical and chemical properties of Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0)?

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0) is a crystalline compound with a molecular weight of approximately 220.06 g/mol. It is poorly soluble in water but soluble in common organic solvents like methanol and acetone. Chemically, it is stable under normal conditions but can react with strong bases. It shows characteristic chromene UV absorption and has good physical stability.

How is Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0) typically synthesized?

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0) is typically synthesized through a condensation reaction between a fluorinated aromatic aldehyde and a chromone derivative in the presence of a catalyst such as p-toluenesulfonic acid. The process yields a high purity product with good selectivity and yield.

What industries use Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0)?

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0) is used in the pharmaceutical industry for its potential as a precursor in drug synthesis. It is also used in the polymer industry for the development of new materials with specific properties. Additionally, it can be utilized in the semiconductor industry for its electronic properties.

What precautions should be taken when handling Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0)?

When handling Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate (CAS: 116543-91-0), safety gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed instructions on handling and storage.

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