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CS-W001157 4
Total: USD 88.00

3H-benzo[e]indole-2-carboxylic acid

  • CAS No. 50536-72-6

  • Cat. No. CS-0465696
  • Molecule weight211.22
  • Purity≥95%
  • MDL No.MFCD02320869

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

3H-benzo[e]indole-2-carboxylic acid|CS-0465696

Structure of 50536-72-6

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General Information

  • CAS No. 50536-72-6
  • Cat. No. CS-0465696
  • Purity ≥95%
  • MDL No. MFCD02320869
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO₂
  • Molecular Weight 211.22
  • Synonym(s) 3H-Benz[e]indole-2-carboxylic acid
  • SMILES C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O)N3

Synthesis

  • Route1
    • null|null
      52280-52-1
    • ~69%
    • 3H-benzo[e]indole-2-carboxylic acid|CS-0465696
      50536-72-6

    References

    • The Scripps Research Institute Patent: US2005/26987 A1, 2005 ; Location in patent: Page 31 ;
  • Route2
    • Methyl 3H-benzo[e]indole-2-carboxylate|CS-0206053
      55970-06-4
    • ~%
    • 3H-benzo[e]indole-2-carboxylic acid|CS-0465696
      50536-72-6

    References

    • The Upjohn Company Patent: US5489593 A1, 1996 ;
  • Route3
    • null|null
      91-59-8
    • ~%
    • 3H-benzo[e]indole-2-carboxylic acid|CS-0465696
      50536-72-6

    References

    • SCHERING CORPORATION Patent: WO2008/82488 A1, 2008 ; Location in patent: Page/Page column 129 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   3.0193
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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