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CS-W001157 4
Total: USD 88.00

2-Iodo-3,4-dimethylbenzoicacid

  • CAS No. 129833-31-4

  • Cat. No. CS-0130485
  • Purity≥97%
  • MDL No.None

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

2-Iodo-3,4-dimethylbenzoicacid|CS-0130485

Structure of 129833-31-4

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General Information

  • CAS No. 129833-31-4
  • Cat. No. CS-0130485
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉IO₂
  • Molecular Weight 276.07
  • Synonym(s) 3,4-Dimethyl-2-iodobenzoic acid
  • SMILES O=C(C1=CC=C(C(C)=C1I)C)O

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 1 p. 217 - 222
  • Route2
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      50419-58-4
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    • 2-Hydroxy-3,4-dimethylbenzoic acid|CS-0153103
      58138-74-2
    • In-stock
      2-Iodo-3,4-dimethylbenzoicacid|CS-0130485
      129833-31-4

    References

    • European Journal of Medicinal Chemistry, , vol. 37, # 10 p. 825 - 828
  • Route3
    • null|null
      87-59-2
    • ~%
    • In-stock
      2-Iodo-3,4-dimethylbenzoicacid|CS-0130485
      129833-31-4

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 1 p. 217 - 222

Safety Information

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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   37.3
  • LogP   2.60624
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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