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CS-W001157 4
Total: USD 88.00

2,5,6-Trichloro-1H-indole

  • CAS No. 286949-65-3

  • Cat. No. CS-0066412
  • Purity≥97%
  • MDL No.None

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

2,5,6-Trichloro-1H-indole|CS-0066412

Structure of 286949-65-3

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General Information

  • CAS No. 286949-65-3
  • Cat. No. CS-0066412
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄Cl₃N
  • Molecular Weight 220.48
  • Synonym(s) 2,5,6-trichloroindole
  • SMILES ClC1=CC2=C(C=C1Cl)C=C(Cl)N2

Synthesis

  • Route1
    • 5,6-Dichloroindolin-2-one|CS-0050728
      71293-59-9
    • ~70%
    • 2,5,6-Trichloro-1H-indole|CS-0066412
      286949-65-3

    References

    • Chen, Jiong J.; Wei, Yuan; Drach, John C.; Townsend, Leroy B. Journal of Medicinal Chemistry, 2000 , vol. 43, # 12 p. 2449 - 2456
  • Route2
    • 2-(4,5-Dichloro-2-nitrophenyl)acetic acid|CS-0451845
      37777-90-5
    • ~%
    • 2,5,6-Trichloro-1H-indole|CS-0066412
      286949-65-3

    References

    • Chen, Jiong J.; Wei, Yuan; Drach, John C.; Townsend, Leroy B. Journal of Medicinal Chemistry, 2000 , vol. 43, # 12 p. 2449 - 2456
  • Route3
    • Methyl 2-(4,5-dichloro-2-nitrophenyl)acetate|CS-0333356
      286949-63-1
    • ~%
    • 2,5,6-Trichloro-1H-indole|CS-0066412
      286949-65-3

    References

    • Chen, Jiong J.; Wei, Yuan; Drach, John C.; Townsend, Leroy B. Journal of Medicinal Chemistry, 2000 , vol. 43, # 12 p. 2449 - 2456

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   4.1281
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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