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CS-W001157 4
Total: USD 88.00

3,5-dichloro-4-methoxybenzaldehyde

  • CAS No. 41727-58-6

  • Cat. No. CS-0061916
  • Purity≥98%
  • MDL No.MFCD04070684

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

3,5-dichloro-4-methoxybenzaldehyde|CS-0061916

Structure of 41727-58-6

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General Information

  • CAS No. 41727-58-6
  • Cat. No. CS-0061916
  • Purity ≥98%
  • MDL No. MFCD04070684
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Cl₂O₂
  • Molecular Weight 205.04
  • Synonym(s) 4-Carboxy-2,6-dichloroanisole
  • SMILES COC1=C(C=C(C=C1Cl)C=O)Cl

Synthesis

  • Route1
    • In-stock
      3,5-Dichloro-4-hydroxybenzaldehyde|CS-W006820
      2314-36-5
    • null|null
      74-88-4
    • ~24%
    • In-stock
      3,5-dichloro-4-methoxybenzaldehyde|CS-0061916
      41727-58-6

    References

    • EXONHIT S.A.; LEBLOND, Bertrand; TAVERNE, Thierry; BEAUSOLEIL, Eric; CHAUVIGNAC, Cedric; CASAGRANDE, Anne-Sophie; DESIRE, Laurent Patent: WO2011/151423 A1, 2011 ; Location in patent: Page/Page column 175-176 ;
  • Route2
    • 4-Methoxybenzaldehyde, ≥ 99% GC|CS-0676496
      123-11-5
    • ~75%
    • In-stock
      3,5-dichloro-4-methoxybenzaldehyde|CS-0061916
      41727-58-6

    References

    • Kamiya; Murata; Yamabe Bulletin of the Chemical Society of Japan, 1984 , vol. 57, # 7 p. 1740 - 1744
  • Route3

    References

    • Khanna, Ish K.; Weier, Richard M.; Yu, Yi; Xu, Xiang D.; Koszyk, Francis J.; Collins, Paul W.; Koboldt, Carol M.; Veenhuizen, Amy W.; Perkins, William E.; Casier, Jacquelen J.; Masferrer, Jaime L.; Zhang, Yan Y.; Gregory, Susan A.; Seibert, Karen; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 11 p. 1634 - 1647

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
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   2.8145
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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