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CS-W001157 4
Total: USD 88.00

6-Chloro-3-oxo-1,2-dihydroindene-1-carboxylic acid

  • CAS No. 66041-31-4

  • Cat. No. CS-0060646
  • Purity≥97%
  • MDL No.None

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

6-Chloro-3-oxo-1,2-dihydroindene-1-carboxylic acid|CS-0060646

Structure of 66041-31-4

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General Information

  • CAS No. 66041-31-4
  • Cat. No. CS-0060646
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClO₃
  • Molecular Weight 210.61
  • Synonym(s) 5-Chloro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
  • SMILES C1=CC2=C(C=C1Cl)C(CC2=O)C(=O)O

Synthesis

  • Route1
    • 2-(3-Chlorophenyl)succinic acid|CS-0005251
      66041-28-9
    • ~%
    • 6-Chloro-3-oxo-1,2-dihydroindene-1-carboxylic acid|CS-0060646
      66041-31-4

    References

    • Gan, Zongjie; Zhang, Di; Cao, Zhe; Xu, Yungen Journal of Chemical Research, 2011 , vol. 35, # 6 p. 317 - 319

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.0946
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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