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CS-W001157 4
Total: USD 88.00

4-Methyl-1H-indole-3-carboxylic acid

  • CAS No. 858515-65-8

  • Cat. No. CS-W003420
  • Purity≥98%
  • MDL No.MFCD07776742

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

4-Methyl-1H-indole-3-carboxylic acid|CS-W003420

Structure of 858515-65-8

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General Information

  • CAS No. 858515-65-8
  • Cat. No. CS-W003420
  • Purity ≥98%
  • MDL No. MFCD07776742
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 4-METHYLINDOLE-3-CARBOXYLIC ACID
  • SMILES O=C(C1=CNC2=C1C(C)=CC=C2)O

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 11 p. 2734 - 2737
  • Route2
    • In-stock
      4-Methyl-1H-indole|CS-W001971
      16096-32-5
    • null|null
      15719-64-9
    • ~%
    • In-stock
      4-Methyl-1H-indole-3-carboxylic acid|CS-W003420
      858515-65-8

    References

    • Chemische Berichte, , vol. 62, p. 2879
  • Route3
    • 2,2,2-Trifluoro-1-(4-methyl-1H-indol-3-yl)ethan-1-one|CS-0523422
      79878-01-6
    • ~%
    • In-stock
      4-Methyl-1H-indole-3-carboxylic acid|CS-W003420
      858515-65-8

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 11 p. 2734 - 2737

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.17452
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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