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CS-W001157 4
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Methyl 3-iodo-5-methylbenzoate

  • CAS No. 597563-45-6

  • Cat. No. CS-0331664
  • Purity≥98%
  • MDL No.None

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

Methyl 3-iodo-5-methylbenzoate|CS-0331664

Structure of 597563-45-6

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General Information

  • CAS No. 597563-45-6
  • Cat. No. CS-0331664
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉IO₂
  • Molecular Weight 276.07
  • Synonym(s) Benzoic acid,3-iodo-5-[methyl(methylsulfonyl)amino]-,methyl ester
  • SMILES O=C(OC)C1=CC(C)=CC(I)=C1

Synthesis

  • Route1

    References

    • Partridge, Benjamin M.; Hartwig, John F. Organic Letters, 2013 , vol. 15, # 1 p. 140 - 143
  • Route2

    References

    • Partridge, Benjamin M.; Hartwig, John F. Organic Letters, 2013 , vol. 15, # 1 p. 140 - 143

Safety Information

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

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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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