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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 54778-20-0

  • Cat. No. CS-0213342
  • Purity≥95%
  • MDL No.MFCD01719046

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

2-Chloro-1H-indole-3-carboxylic acid|CS-0213342

Structure of 54778-20-0

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General Information

  • CAS No. 54778-20-0
  • Cat. No. CS-0213342
  • Purity ≥95%
  • MDL No. MFCD01719046
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO₂
  • Molecular Weight 195.60
  • Synonym(s) 3-anilino-1-pyrrolidinecarboxamide
  • SMILES C1=CC=C2C(=C1)C(=C(Cl)N2)C(=O)O

Synthesis

  • Route1
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      Caesium carbonate,99% metals basis|CS-0534192
      534-17-8
    • ~94%
    • In-stock
      2-Chloro-1H-indole-3-carboxylic acid|CS-0213342
      54778-20-0

    References

    • Kunzer, Aaron R.; Wendt, Michael D. Tetrahedron Letters, 2011 , vol. 52, # 15 p. 1815 - 1818
  • Route2

    References

    • Showalter, H. D. Hollis; Sercel, Anthony D.; Leja, Boguslawa M.; Wolfangel, Craig D.; Ambroso, Linda A.; Elliott, William L.; Fry, David W.; Kraker, Alan J.; Howard, Curtis T.; Lu, Gina H.; Moore, Charles W.; Nelson, James M.; Roberts, Bill J.; Vincent, Patrick W.; Denny, William A.; Thompson, Andrew M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 4 p. 413 - 426
  • Route3
    • null|null
      123-91-1
    • null|null
      7758-19-2
    • In-stock
      Sodium dihydrogen phosphate monohydrate|CS-0144851
      10049-21-5
    • null|null
      513-35-9
    • In-stock
      2-Chloro-1H-indole-3-carbaldehyde|CS-0156034
      5059-30-3
    • ~%
    • In-stock
      2-Chloro-1H-indole-3-carboxylic acid|CS-0213342
      54778-20-0
    • null|null
      83894-17-1

    References

    • US5464861 A1, ; US 5464861 A

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.5195
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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