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1,3-Dioxo-2,3-dihydro-1H-indene-2-carbonitrile

  • CAS No. 42382-92-3

  • Cat. No. CS-0547221
  • Purity≥98%
  • MDL No.None

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

1,3-Dioxo-2,3-dihydro-1H-indene-2-carbonitrile|CS-0547221

Structure of 42382-92-3

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General Information

  • CAS No. 42382-92-3
  • Cat. No. CS-0547221
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅NO₂
  • Molecular Weight 171.15
  • Synonym(s) 2-CYANO-1,3-INDANEDIONE
  • SMILES C1=CC=C2C(=C1)C(=O)C(C2=O)C#N

Synthesis

  • Route1

    References

    • Akula, Ramulu; Xiong, Yan; Ibrahim, Hasim RSC Advances, 2013 , vol. 3, # 27 p. 10731 - 10735
  • Route2
    • null|null
      85-44-9
    • null|null
      372-09-8
    • ~%
    • 1,3-Dioxo-2,3-dihydro-1H-indene-2-carbonitrile|CS-0547221
      42382-92-3

    References

    • Buckle,D.R. et al. Journal of Medicinal Chemistry, 1977 , vol. 20, p. 265 - 269

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.20538
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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