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CS-W001157 4
Total: USD 88.00

4-Formylisophthalonitrile

  • CAS No. 331714-59-1

  • Cat. No. CS-0046175
  • Purity≥97%
  • MDL No.MFCD18805371

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

4-Formylisophthalonitrile|CS-0046175

Structure of 331714-59-1

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General Information

  • CAS No. 331714-59-1
  • Cat. No. CS-0046175
  • Purity ≥97%
  • MDL No. MFCD18805371
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄N₂O
  • Molecular Weight 156.14
  • Synonym(s) 1,3-Benzenedicarbonitrile, 4-formyl- (9CI)
  • SMILES N#CC1=CC=C(C=O)C(C#N)=C1

Synthesis

  • Route1
    • 4-(1,3-Dioxolan-2-yl)isophthalonitrile|CS-0902516
      331714-61-5
    • ~55%
    • 4-Formylisophthalonitrile|CS-0046175
      331714-59-1

    References

    • Schweikart, Karl-Heinz; Hanack, Michael; Lueer, Larry; Oelkrug, Dieter European Journal of Organic Chemistry, 2001 , # 2 p. 293 - 302
  • Route2

    References

    • Schweikart, Karl-Heinz; Hanack, Michael; Lueer, Larry; Oelkrug, Dieter European Journal of Organic Chemistry, 2001 , # 2 p. 293 - 302
  • Route3

    References

    • Schweikart, Karl-Heinz; Hanack, Michael; Lueer, Larry; Oelkrug, Dieter European Journal of Organic Chemistry, 2001 , # 2 p. 293 - 302

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   64.65
  • LogP   1.24246
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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