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CS-W001157 4
Total: USD 88.00

4-(2-Nitrophenyl)-3-oxobutanenitrile

  • CAS No. 86671-25-2

  • Cat. No. CS-0579655
  • Molecule weight204.18
  • Purity≥98%
  • MDL No.None

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

4-(2-Nitrophenyl)-3-oxobutanenitrile|CS-0579655

Structure of 86671-25-2

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General Information

  • CAS No. 86671-25-2
  • Cat. No. CS-0579655
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₃
  • Molecular Weight 204.18
  • Synonym(s) 2-NITRO-BETA-OXO-BENZENEBUTANENITRILE
  • SMILES C1=CC=C(C(=C1)CC(=O)CC#N)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      61417-34-3
    • ~%
    • 4-(2-Nitrophenyl)-3-oxobutanenitrile|CS-0579655
      86671-25-2

    References

    • Muth,C.W. et al. Journal of Organic Chemistry, 1960 , vol. 25, p. 736 - 740
  • Route2
    • null|null
      22751-23-1
    • ~%
    • 4-(2-Nitrophenyl)-3-oxobutanenitrile|CS-0579655
      86671-25-2

    References

    • Muth,C.W. et al. Journal of Organic Chemistry, 1960 , vol. 25, p. 736 - 740
  • Route3

    References

    • Muth,C.W. et al. Journal of Organic Chemistry, 1960 , vol. 25, p. 736 - 740

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   84
  • LogP   1.62008
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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