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CS-W001157 4
Total: USD 88.00

3-Iodo-4-methylbenzaldehyde

  • CAS No. 58586-55-3

  • Cat. No. CS-0380559
  • Purity≥98%
  • MDL No.None

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

3-Iodo-4-methylbenzaldehyde|CS-0380559

Structure of 58586-55-3

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General Information

  • CAS No. 58586-55-3
  • Cat. No. CS-0380559
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇IO
  • Molecular Weight 246.05
  • Synonym(s) 3-IODO-4-METHYL-BENZALDEHYDE
  • SMILES O=CC1=CC=C(C)C(I)=C1

Synthesis

  • Route1
    • null|null
      79-37-8
    • In-stock
      3-Iodo-4-methylbenzoic acid|CS-W020661
      82998-57-0
    • ~18%
    • In-stock
      3-Iodo-4-methylbenzaldehyde|CS-0380559
      58586-55-3

    References

    • Abbott Laboratories Patent: US6642222 B2, 2003 ; US 6642222 B2
  • Route2
    • null|null
      52107-98-9
    • ~%
    • In-stock
      3-Iodo-4-methylbenzaldehyde|CS-0380559
      58586-55-3

    References

    • Carroll, William A.; Altenbach, Robert J.; Bai, Hao; Brioni, Jorge D.; Brune, Michael E.; Buckner, Steven A.; Cassidy, Christopher; Chen, Yiyuan; Coghlan, Michael J.; Daza, Anthony V.; Drizin, Irene; Fey, Thomas A.; Fitzgerald, Michael; Gopalakrishnan, Murali; Gregg, Robert J.; Henry, Rodger F.; Holladay, Mark W.; King, Linda L.; Kort, Michael E.; Kym, Philip R.; Milicic, Ivan; Tang, Rui; Turner, Sean C.; Whiteaker, Kristi L.; Yi, Lin; Zhang, Henry; Sullivan, James P. Journal of Medicinal Chemistry, 2004 , vol. 47, # 12 p. 3163 - 3179
  • Route3

    References

    • Kraszkiewicz, Lukasz; Sosnowski, Maciej; Skulski, Lech Synthesis, 2006 , # 7 p. 1195 - 1199

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   17.07
  • LogP   2.41212
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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