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CS-W001157 4
Total: USD 88.00

Ethyl 4,4,4-trichloroacetoacetate

  • CAS No. 3702-98-5

  • Cat. No. CS-0204845
  • Purity≥98%
  • MDL No.MFCD00043329

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

Ethyl 4,4,4-trichloroacetoacetate|CS-0204845

Structure of 3702-98-5

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General Information

  • CAS No. 3702-98-5
  • Cat. No. CS-0204845
  • Purity ≥98%
  • MDL No. MFCD00043329
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇Cl₃O₃
  • Molecular Weight 233.48
  • Synonym(s) 4,4,4-Trichloroacetoacetic Acid Ethyl Ester
  • SMILES O=C(OCC)CC(=O)C(Cl)(Cl)Cl

Synthesis

  • Route1
    • null|null
      78-39-7
    • null|null
      76-02-8
    • ~91%
    • Ethyl 4,4,4-trichloroacetoacetate|CS-0204845
      3702-98-5

    References

    • Martins, Marcos A. P.; Pereira, Claudio M. P.; Zimmermann, Nilo E. K.; Moura, Sidnei; Sinhorin, Adilson P.; Cunico, Wilson; Zanatta, Nilo; Bonacorso, Helio G.; Flores, Alex C. F. Synthesis, 2003 , # 15 p. 2353 - 2357
  • Route2

    References

    • Bankowska,Z. Roczniki Chemii, 1966 , vol. 40, p. 1177 - 1186
  • Route3
    • null|null
      463-51-4
    • null|null
      64-17-5
    • null|null
      76-02-8
    • ~%
    • Ethyl 4,4,4-trichloroacetoacetate|CS-0204845
      3702-98-5

    References

    • Smrt et al. Collection of Czechoslovak Chemical Communications, 1955 , vol. 20, p. 285,289 Full Text Show Details Wald; Joullie Journal of Organic Chemistry, 1966 , vol. 31, p. 3369,3373

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.8789
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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