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CS-W001157 4
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Methyl 4-(difluoromethoxy)-3-iodobenzoate

  • CAS No. 1131614-23-7

  • Cat. No. CS-0041000
  • Molecule weight328.05
  • Purity≥97%
  • MDL No.MFCD11112921

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

Methyl 4-(difluoromethoxy)-3-iodobenzoate|CS-0041000

Structure of 1131614-23-7

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General Information

  • CAS No. 1131614-23-7
  • Cat. No. CS-0041000
  • Purity ≥97%
  • MDL No. MFCD11112921
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₂IO₃
  • Molecular Weight 328.05
  • Synonym(s) Benzoic acid, 4-(difluoromethoxy)-3-iodo-, methyl ester
  • SMILES O=C(OC)C1=CC=C(OC(F)F)C(I)=C1

Synthesis

  • Route1

    References

    • WYETH LLC; LI, David, Zenan; O'NEIL, Steven, Victor; SPRINGER, Dane, Mark; ZEGARELLI, Benjamin, Miller Patent: WO2010/124047 A1, 2010 ; Location in patent: Page/Page column 58-59 ; WO 2010/124047 A1
  • Route2

    References

    • Sperry, Jeffrey B.; Sutherland, Karen Organic Process Research and Development, 2011 , vol. 15, # 3 p. 721 - 725
  • Route3
    • null|null
      67-56-1
    • null|null
      75-45-6
    • In-stock
      4-Hydroxy-3-iodobenzoic acid|CS-0060337
      37470-46-5
    • ~%
    • Methyl 4-(difluoromethoxy)-3-iodobenzoate|CS-0041000
      1131614-23-7

    References

    • Ni, Feng; Li, Jianqi Synthesis (Germany), 2012 , vol. 44, # 23 art. no. SS-2012-H0689-OP, p. 3598 - 3602

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.6792
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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