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CS-W001157 4
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tert-Butyl 5-cyano-3-iodo-1H-indole-1-carboxylate

  • CAS No. 864685-26-7

  • Cat. No. CS-W023018
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 5-cyano-3-iodo-1H-indole-1-carboxylate|CS-W023018

Structure of 864685-26-7

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General Information

  • CAS No. 864685-26-7
  • Cat. No. CS-W023018
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃IN₂O₂
  • Molecular Weight 368.17
  • Synonym(s) 5-CYANO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
  • SMILES O=C(N1C=C(I)C2=C1C=CC(C#N)=C2)OC(C)(C)C

Synthesis

  • Route1

    References

    • Kyowa Hakko Kirin Co., Ltd. Patent: EP2163554 A1, 2010 ; Location in patent: Page/Page column 107 ;

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   55.02
  • LogP   3.90078
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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