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CS-W001157 4
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3-Chlorophthalide

  • CAS No. 6295-21-2

  • Cat. No. CS-0204969
  • Molecule weight168.58
  • Purity≥97%
  • MDL No.MFCD00011556

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

3-Chlorophthalide|CS-0204969

Structure of 6295-21-2

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General Information

  • CAS No. 6295-21-2
  • Cat. No. CS-0204969
  • Purity ≥97%
  • MDL No. MFCD00011556
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClO₂
  • Molecular Weight 168.58
  • Synonym(s) 4-[3-[3,5-bis[3-(4-morpholinyl)propyl]-1,3,5-triazinan-1-yl]propyl]morpholine
  • SMILES O=C1OC(Cl)C=2C=CC=CC12

Synthesis

  • Route1

    References

    • PURDUE RESEARCH FOUNDATION; THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE DEPARTENT OF HEALTH and HUMAN SERVICES Patent: WO2009/140467 A1, 2009 ; Location in patent: Page/Page column 30 ;
  • Route2

    References

    • Desai; Chaphekar; Samant Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999 , vol. 38, # 7 p. 810 - 813
  • Route3
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      601-70-7
    • ~81%
    • 3-Chlorophthalide|CS-0204969
      6295-21-2

    References

    • Guirado, Antonio; Barba, Fructuoso; Hursthouse, Michael B.; Martinez, Antonio; Arcas, Aurelia Tetrahedron Letters, 1986 , vol. 27, # 34 p. 4063 - 4066

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0944
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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