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CS-W001157 4
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Ethyl 5,7-dichloro-1H-indole-2-carboxylate

  • CAS No. 4792-70-5

  • Cat. No. CS-0041376
  • Molecule weight258.10
  • Purity≥97%
  • MDL No.None

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

Ethyl 5,7-dichloro-1H-indole-2-carboxylate|CS-0041376

Structure of 4792-70-5

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General Information

  • CAS No. 4792-70-5
  • Cat. No. CS-0041376
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉Cl₂NO₂
  • Molecular Weight 258.10
  • Synonym(s) Ethyl 5,7-Dichloroindole-2-carboxylate
  • SMILES O=C(C(N1)=CC2=C1C(Cl)=CC(Cl)=C2)OCC

Synthesis

  • Route1
    • null|null
      4792-68-1
    • ~%
    • In-stock
      Ethyl 5,7-dichloro-1H-indole-2-carboxylate|CS-0041376
      4792-70-5

    References

    • PFIZER INC. Patent: EP1134213 A2, 2001 ;
  • Route2

    References

    • Jablonowski, Jill A.; Grice, Cheryl A.; Chai, Wenying; Dvorak, Curt A.; Venable, Jennifer D.; Kwok, Annette K.; Ly, Kiev S.; Wei, Jianmei; Baker, Sherry M.; Desai, Pragnya J.; Jiang, Wen; Wilson, Sandy J.; Thurmond, Robin L.; Karlsson, Lars; Edwards, James P.; Lovenberg, Timothy W.; Carruthers, Nicholas I. Journal of Medicinal Chemistry, 2003 , vol. 46, # 19 p. 3957 - 3960

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

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   3.6514
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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