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CS-W001157 4
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Methyl 2-Iodo-5-methylbenzoate

  • CAS No. 103440-52-4

  • Cat. No. CS-W011368
  • Purity≥95%
  • MDL No.MFCD12198129

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

Methyl 2-Iodo-5-methylbenzoate|CS-W011368

Structure of 103440-52-4

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General Information

  • CAS No. 103440-52-4
  • Cat. No. CS-W011368
  • Purity ≥95%
  • MDL No. MFCD12198129
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉IO₂
  • Molecular Weight 276.07
  • Synonym(s) Methyl 6-Iodo-m-toluate
  • SMILES O=C(OC)C1=CC(C)=CC=C1I

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      5-Methyl-2-iodobenzoic acid|CS-W009152
      52548-14-8
    • ~95%
    • In-stock
      Methyl 2-Iodo-5-methylbenzoate|CS-W011368
      103440-52-4

    References

    • MERCK and CO., INC.; MERCK FROSST CANADA LTD. Patent: WO2009/143033 A1, 2009 ; Location in patent: Page/Page column 28-29 ; WO 2009/143033 A1
  • Route2

    References

    • Dainippon Sumitomo Pharma Co., Ltd.; AstraZeneca AB Patent: EP1939202 A1, 2008 ; Location in patent: Page/Page column 54-55 ;
  • Route3

    References

    • Girardin, Melina; Ouellet, Stephane G.; Gauvreau, Danny; Moore, Jeffrey C.; Hughes, Greg; Devine, Paul N.; O'Shea, Paul D.; Campeau, Louis-Charles Organic Process Research and Development, 2013 , vol. 17, # 1 p. 61 - 68

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   26.3
  • LogP   2.38622
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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