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CS-W001157 4
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methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate

  • CAS No. 4415-09-2

  • Cat. No. CS-0033725
  • Molecule weight269.66
  • Purity≥98%
  • MDL No.MFCD00214743

*For research and further manufacturing use only, not for direct human use.

methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0033725

Structure of 4415-09-2

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General Information

  • CAS No. 4415-09-2
  • Cat. No. CS-0033725
  • Purity ≥98%
  • MDL No. MFCD00214743
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉ClFNO₃
  • Molecular Weight 269.66
  • Synonym(s) METHYL 3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLATE
  • SMILES O=C(C1=C(C)ON=C1C2=C(F)C=CC=C2Cl)OC

Synthesis

  • Route1

    References

    • Journal of Heterocyclic Chemistry, , vol. 49, # 3 p. 621 - 627
  • Route2
    • 2-Chloro-6-fluorobenzaldehyde oxime|CS-W017543
      443-33-4
    • ~%
    • methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate|CS-0033725
      4415-09-2

    References

    • Journal of Heterocyclic Chemistry, , vol. 49, # 3 p. 621 - 627
  • Route3

    References

    • Journal of the Chemical Society. Perkin transactions 1, , p. 5976 - 5983

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   3.22912
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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