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7-Bromoisochromane-1,3-dione

  • CAS No. 552333-33-2

  • Cat. No. CS-0140397
  • Molecule weight241.04
  • Purity≥95%
  • MDL No.MFCD11846509

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

7-Bromoisochromane-1,3-dione|CS-0140397

Structure of 552333-33-2

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General Information

  • CAS No. 552333-33-2
  • Cat. No. CS-0140397
  • Purity ≥95%
  • MDL No. MFCD11846509
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrO₃
  • Molecular Weight 241.04
  • Synonym(s) 7-bromo-1H-isochromene-1,3(4H)-dione
  • SMILES O=C(O1)C2=CC(Br)=CC=C2CC1=O

Synthesis

  • Route1

    References

    • Ozcan, Sevil; Dengiz, Cagatay; Delioemeroglu, Murat K.; Sahin, Ertan; Balci, Metin Tetrahedron Letters, 2011 , vol. 52, # 13 p. 1495 - 1497
  • Route2

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2006/67444 A1, 2006 ; Location in patent: Page/Page column 64-65 ; WO 2006/067444 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2928
Class : 6.1,8
Packing Group : Ⅱ
Hazard Statements : H301-H311-H314-H331
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P361+P364-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.6886
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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