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CS-W001157 4
Total: USD 88.00

Isoquinoline-1,3(2H,4H)-dione

  • CAS No. 4456-77-3

  • Cat. No. CS-W006004
  • Purity≥95%
  • MDL No.MFCD00234966

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

Isoquinoline-1,3(2H,4H)-dione|CS-W006004

Structure of 4456-77-3

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General Information

  • CAS No. 4456-77-3
  • Cat. No. CS-W006004
  • Purity ≥95%
  • MDL No. MFCD00234966
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) NSC 409146
  • SMILES O=C1NC(CC2=C1C=CC=C2)=O

Synthesis

  • Route1

    References

    • Wolfbeis, Otto S.; Trummer, Iris; Knierzinger, Andreas Liebigs Annalen der Chemie, 1981 , # 5 p. 811 - 818
  • Route2
    • In-stock
      Homophthalic acid|CS-W017223
      89-51-0
    • null|null
      95-50-1
    • ~72%
    • In-stock
      Isoquinoline-1,3(2H,4H)-dione|CS-W006004
      4456-77-3

    References

    • Lee, Chih-Hung; Bayburt, Erol K.; DiDomenico, Stanley; Drizin, Irene; Gomtsyan, Arthur R.; Koenig, John R.; Perner, Richard J.; Schmidt, Robert G.; Turner, Sean C.; Jinkerson, Tammie K.; Zheng, Guo Zhu Patent: US2005/113576 A1, 2005 ; Location in patent: Page/Page column 29-30 ; US 20050113576 A1
  • Route3

    References

    • Farmitalia Carlo Erba S.r.L. Patent: US5587385 A1, 1996 ; US 5587385 A

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   0.4991
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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