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CS-W001157 4
Total: USD 88.00

Ethyl 4-amino-3,5-diiodobenzoate

  • CAS No. 5400-81-7

  • Cat. No. CS-0298915
  • Molecule weight416.98
  • Purity≥97%
  • MDL No.None

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

Ethyl 4-amino-3,5-diiodobenzoate|CS-0298915

Structure of 5400-81-7

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General Information

  • CAS No. 5400-81-7
  • Cat. No. CS-0298915
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉I₂NO₂
  • Molecular Weight 416.98
  • Synonym(s) ETHYL-3,5-DIIODO-4-AMINOBENZOATE
  • SMILES CCOC(=O)C1=CC(=C(C(=C1)I)N)I

Synthesis

  • Route1

    References

    • Hirschfeld; Buschauer; Elz; Schunack; Ruat; Traiffort; Schwartz Journal of Medicinal Chemistry, 1992 , vol. 35, # 12 p. 2231 - 2238
  • Route2
    • null|null
      75-09-2
    • In-stock
      Benzocaine|CS-B0934
      94-09-7
    • ~92%
    • In-stock
      Ethyl 4-amino-3,5-diiodobenzoate|CS-0298915
      5400-81-7

    References

    • Charrier, Nicolas; Demont, Emmanuel; Dunsdon, Rachel; Maile, Graham; Naylor, Alan; O'Brien, Alistair; Redshaw, Sally; Theobald, Pam; Vesey, David; Walter, Daryl Synlett, 2005 , # 20 art. no. D23305ST, p. 3071 - 3074
  • Route3
    • null|null
      75-03-6
    • ~%
    • In-stock
      Ethyl 4-amino-3,5-diiodobenzoate|CS-0298915
      5400-81-7

    References

    • Wheeler; Liddle American Chemical Journal, 1909 , vol. 42, p. 457

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.6547
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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