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CS-W001157 4
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3-Acetyl-6,8-dichloro-2H-1-benzopyran-2-one

  • CAS No. 2199-91-9

  • Cat. No. CS-0231361
  • Purity≥97%
  • MDL No.None

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

3-Acetyl-6,8-dichloro-2H-1-benzopyran-2-one|CS-0231361

Structure of 2199-91-9

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General Information

  • CAS No. 2199-91-9
  • Cat. No. CS-0231361
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₆Cl₂O₃
  • Molecular Weight 257.07
  • Synonym(s) 3-acetyl-6,8-dichloro-2H-chromen-2-one
  • SMILES CC(=O)C1=CC2=CC(=CC(=C2OC1=O)Cl)Cl

Synthesis

  • Route1

    References

    • Synlett, , vol. 24, # 16 art. no. ST-2013-D0554-L, p. 2124 - 2126
  • Route2

    References

    • Flores-Larios, Irma Y.; Lopez-Garrido, Lizbeth; Martinez-Martinez, Francisco J.; Gonzalez, Jorge; Garcia-Baez, Efren V.; Cruz, Alejandro; Padilla-Martinez, Itzia I. Molecules, 2010 , vol. 15, # 3 p. 1513 - 1530

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   47.28
  • LogP   3.3024
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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