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CS-W001157 4
Total: USD 88.00

5-Chloro-3-methyl-1H-indole-2-carboxylic acid

  • CAS No. 16381-47-8

  • Cat. No. CS-0313686
  • Purity≥98%
  • MDL No.MFCD05864560

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

5-Chloro-3-methyl-1H-indole-2-carboxylic acid|CS-0313686

Structure of 16381-47-8

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General Information

  • CAS No. 16381-47-8
  • Cat. No. CS-0313686
  • Purity ≥98%
  • MDL No. MFCD05864560
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClNO₂
  • Molecular Weight 209.63
  • Synonym(s) 5-chloro-3-methylindole-2-carboxylic acid
  • SMILES CC1=C(C(=O)O)NC2=C1C=C(C=C2)Cl

Synthesis

  • Route1
    • Ethyl 5-chloro-3-methyl-1H-indole-2-carboxylate|CS-0320848
      16382-20-0
    • ~99%
    • 5-Chloro-3-methyl-1H-indole-2-carboxylic acid|CS-0313686
      16381-47-8

    References

    • Liu, Ruiyan; Zhang, Puwen; Gan, Tong; Cook, James M. Journal of Organic Chemistry, 1997 , vol. 62, # 21 p. 7447 - 7456
  • Route2
    • null|null
      106-47-8
    • ~%
    • 5-Chloro-3-methyl-1H-indole-2-carboxylic acid|CS-0313686
      16381-47-8

    References

    • Journal of Organic Chemistry, , vol. 62, # 21 p. 7447 - 7456
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 11 p. 5627 - 5631

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   53.09
  • LogP   2.82792
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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