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Ethyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate

  • CAS No. 153435-96-2

  • Cat. No. CS-0314257
  • Molecule weight286.11
  • Purity≥97%
  • MDL No.None

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

Ethyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate|CS-0314257

Structure of 153435-96-2

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General Information

  • CAS No. 153435-96-2
  • Cat. No. CS-0314257
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉Cl₂NO₃
  • Molecular Weight 286.11
  • Synonym(s) Ethyl5,7-dichloro-3-formyl-1H-indole-2-carboxylate
  • SMILES CCOC(=O)C1=C(C=O)C2=C(C=C(C=C2N1)Cl)Cl

Synthesis

  • Route1

    References

    • Watson, Timothy J.N.; Horgan, Stephen W.; Shah, Ramnik S.; Farr, Robert A.; Schnettler, Richard A.; Nevill Jr., C. Richard; Weiberth, Franz J.; Huber, Edward W.; Baron, Bruce M.; Webster, Mark E.; Mishra, Rajesh K.; Harrison, Boyd L.; Nyce, Phillip L.; Rand, Cynthia L.; Goralski, Christian T. Organic Process Research and Development, 2000 , vol. 4, # 6 p. 477 - 487
  • Route2

    References

    • Bauman; Piel; Hoehnemann; Krauss; Jansen; Solbach; Dannhardt; Roesch Journal of Labelled Compounds and Radiopharmaceuticals, 2011 , vol. 54, # 10 p. 645 - 656
  • Route3

    References

    • US5519048 A1, ; US 5519048 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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   59.16
  • LogP   3.4639
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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