Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate | CAS No. 851725-98-9

Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate

Basic Information

CAS Number

851725-98-9

Molecular Formula

C8H10F2N2O2

Molecular Weight

204.18 g/mol

AD

Basic Physical Properties

CCOC(=O)C1=C(N(N=C1)C)C(F)F

InChI

InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-11-12(2)6(5)7(9)10/h4,7H,3H2,1-2H3

InChIKey

AYCXDJXKBPZTTR-UHFFFAOYSA-N

LogP

1.5343999999999998

Topological Polar Surface Area

44.120000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

214

Synonyms & References

English

  • Ethyl 1-methyl-5-(difluoromethyl)-1H-pyrazole-4-carboxylate
  • ethyl 5-(difluoromethyl)-1-methylpyrazole-4-carboxylate
  • Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
  • PC6801
  • 5-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
  • ETHYL 1-METHYL-5-(DIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
  • MFCD10567168
  • DB-076267
  • SCHEMBL19327
  • AC-27612
  • BS-52015
  • Ethyl 5-difluoromethyl-1-methylpyrazole-4-carboxylate
  • 851725-98-9
  • Ethyl5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
  • F77573
  • AKOS012300266
  • DTXSID00672908
  • CS-0312027

MDL Number

MFCD10567168

Customs Code

2933199090

FAQ

What are the physical and chemical properties of Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9)?

Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9) is a crystalline compound with a molecular weight of approximately 229.12 g/mol. It has a moderate solubility in common organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo nucleophilic substitution reactions. It is not flammable but requires caution due to its reactivity.

How is Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9) typically synthesized?

Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9) is typically synthesized through a condensation reaction of ethyl 1-methyl-1H-pyrazole-4-carboxylate with difluoroacetic anhydride. This process can be catalyzed by acetic acid, and the yield is generally high, around 85-90%.

What industries use Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9)?

Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9) finds applications in the pharmaceutical and agrochemical industries. It is used as an intermediate in the synthesis of various bioactive compounds and agrochemicals. Additionally, it may have potential uses in sensor technology and as a precursor in polymer synthesis.

What precautions should be taken when handling Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9)?

When handling Ethyl 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate (CAS: 851725-98-9), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to avoid inhaling the compound. Spills should be cleaned up promptly with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.

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