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5-Chloro-1-methyl-1H-indole

  • CAS No. 112398-75-1

  • Cat. No. CS-0509387
  • Molecule weight165.62
  • Purity≥98%
  • MDL No.MFCD11044848

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

5-Chloro-1-methyl-1H-indole|CS-0509387

Structure of 112398-75-1

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General Information

  • CAS No. 112398-75-1
  • Cat. No. CS-0509387
  • Purity ≥98%
  • MDL No. MFCD11044848
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClN
  • Molecular Weight 165.62
  • Synonym(s) 5-Chloro-1-methylindole
  • SMILES CN1C=CC2=C1C=CC(Cl)=C2

Synthesis

  • Route1

    References

    • Diana, Patrizia; Carbone, Anna; Barraja, Paola; Kelter, Gerhard; Fiebig, Heinz-Herbert; Cirrincione, Girolamo Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 12 p. 4524 - 4529
  • Route2
    • null|null
      74-88-4
    • ~48%
    • 5-Chloro-1-methyl-1H-indole|CS-0509387
      112398-75-1

    References

    • ELI LILLY AND COMPANY Patent: WO2006/107784 A1, 2006 ; Location in patent: Page/Page column 42 ; WO 2006/107784 A1
  • Route3

    References

    • Syntex (U.S.A.) LLC Patent: US2003/176484 A1, 2003 ; US 20030176484 A1

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   4.93
  • LogP   2.8317
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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