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CS-W001157 4
Total: USD 88.00

3-Chloroindole

  • CAS No. 16863-96-0

  • Cat. No. CS-0005541
  • Purity≥96%
  • MDL No.MFCD09250863

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

3-Chloroindole|CS-0005541

Structure of 16863-96-0

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General Information

  • CAS No. 16863-96-0
  • Cat. No. CS-0005541
  • Purity ≥96%
  • MDL No. MFCD09250863
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClN
  • Molecular Weight 151.60
  • Synonym(s) None
  • SMILES ClC1=CNC2=C1C=CC=C2

Synthesis

  • Route1
    • Indole, ≥99%|CS-1268948
      120-72-9
    • ~97%
    • In-stock
      3-Chloroindole|CS-0005541
      16863-96-0

    References

    • Ignatenko, Vasily A.; Zhang, Ping; Viswanathan, Rajesh Tetrahedron Letters, 2011 , vol. 52, # 12 p. 1269 - 1272
  • Route2
    • null|null
      66037-05-6
    • ~%
    • In-stock
      3-Chloroindole|CS-0005541
      16863-96-0

    References

    • Tetrahedron Letters, , vol. 52, # 12 p. 1292 - 1295
  • Route3
    • null|null
      67765-96-2
    • ~78%
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • In-stock
      3-Chloroindole|CS-0005541
      16863-96-0

    References

    • Budylin, V. A.; Ermolenko, M. S.; Chugtai, F. A.; Kost, A. N. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1981 , vol. 17, # 11 p. 1088 - 1090 Khimiya Geterotsiklicheskikh Soedinenii, 1981 , vol. 17, # 11 p. 1494 - 1496

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335-H412
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   2.8213
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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