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CS-W001157 4
Total: USD 88.00

1-(Isoquinolin-3-yl)ethan-1-one

  • CAS No. 91544-03-5

  • Cat. No. CS-0141837
  • Purity≥98%
  • MDL No.MFCD06658291

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

1-(Isoquinolin-3-yl)ethan-1-one|CS-0141837

Structure of 91544-03-5

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General Information

  • CAS No. 91544-03-5
  • Cat. No. CS-0141837
  • Purity ≥98%
  • MDL No. MFCD06658291
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO
  • Molecular Weight 171.20
  • Synonym(s) Ethanone,1-(3-isoquinolinyl)-
  • SMILES CC(C1=NC=C2C(C=CC=C2)=C1)=O

Synthesis

  • Route1

    References

    • Canadian Journal of Chemistry, , vol. 32, p. 641,644
  • Route2
    • null|null
      111-34-2
    • null|null
      185950-63-4
    • ~77%
    • In-stock
      1-(Isoquinolin-3-yl)ethan-1-one|CS-0141837
      91544-03-5

    References

    • Legros, Jean-Yves; Primault, Gaelle; Fiaud, Jean-Claude Tetrahedron, 2001 , vol. 57, # 13 p. 2507 - 2514
  • Route3
    • null|null
      97674-02-7
    • null|null
      185950-63-4
    • ~53%
    • In-stock
      1-(Isoquinolin-3-yl)ethan-1-one|CS-0141837
      91544-03-5

    References

    • Legros, Jean-Yves; Primault, Gaelle; Fiaud, Jean-Claude Tetrahedron, 2001 , vol. 57, # 13 p. 2507 - 2514

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.4374
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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