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CS-W001157 4
Total: USD 88.00

3-(4-Iodophenyl)-3-oxopropanenitrile

  • CAS No. 206346-33-0

  • Cat. No. CS-0308639
  • Purity≥96%
  • MDL No.None

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

3-(4-Iodophenyl)-3-oxopropanenitrile|CS-0308639

Structure of 206346-33-0

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General Information

  • CAS No. 206346-33-0
  • Cat. No. CS-0308639
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆INO
  • Molecular Weight 271.05
  • Synonym(s) 4-Iodo-b-oxo-benzenepropanenitrile
  • SMILES C1=C(C=CC(=C1)I)C(=O)CC#N

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 24, # 6 p. 1550 - 1556
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 42, # 18 p. 3629 - 3635
  • Route3

    References

    • European Journal of Medicinal Chemistry, , vol. 44, # 2 p. 593 - 608

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   40.86
  • LogP   2.38758
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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