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CS-W001157 4
Total: USD 88.00

Ethyl 3,5-diiodobenzoate

  • CAS No. 388613-52-3

  • Cat. No. CS-0581354
  • Purity≥98%
  • MDL No.None

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

Ethyl 3,5-diiodobenzoate|CS-0581354

Structure of 388613-52-3

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General Information

  • CAS No. 388613-52-3
  • Cat. No. CS-0581354
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈I₂O₂
  • Molecular Weight 401.97
  • Synonym(s) 3,5-DIIODOBENZOIC ACID ETHYL ESTER
  • SMILES CCOC(=O)C1=CC(=CC(=C1)I)I

Synthesis

  • Route1

    References

    • Kopp, Felix; Wunderlich, Stefan; Knochel, Paul Chemical Communications, 2007 , # 20 p. 2075 - 2077
  • Route2
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      64-17-5
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      42860-25-3
    • ~%
    • Ethyl 3,5-diiodobenzoate|CS-0581354
      388613-52-3

    References

    • Surry, David S.; Su, Xianbin; Fox, David J.; Franckevicius, Vilius; Macdonald, Simon J. F.; Spring, David R. Angewandte Chemie - International Edition, 2005 , vol. 44, # 12 p. 1870 - 1873
  • Route3

    References

    • Khan, Anzar; Hecht, Stefan Chemical Communications, 2004 , # 3 p. 300 - 301

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.0725
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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