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CS-W001157 4
Total: USD 88.00

2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

  • CAS No. 844-25-7

  • Cat. No. CS-0314523
  • Purity95+%
  • MDL No.None

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

2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile|CS-0314523

Structure of 844-25-7

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General Information

  • CAS No. 844-25-7
  • Cat. No. CS-0314523
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₂N₂O
  • Molecular Weight 260.29
  • Synonym(s) 2-Benzoyl-1,2-dihydro-isoquinoline-1-carbonitrile
  • SMILES C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2C#N

Synthesis

  • Route1
    • In-stock
      Isoquinoline|CS-W013448
      119-65-3
    • null|null
      151-50-8
    • null|null
      98-88-4
    • ~91%
    • 2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile|CS-0314523
      844-25-7

    References

    • Reimann, Eberhard; Erdle, Wolfgang; Weigl, Claudia; Polborn, Kurt Monatshefte fur Chemie, 1999 , vol. 130, # 2 p. 313 - 326
  • Route2

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 16 p. 1839 - 1848
  • Route3
    • In-stock
      Isoquinoline|CS-W013448
      119-65-3
    • null|null
      2179-92-2
    • null|null
      98-88-4
    • ~97%
    • 2-Benzoyl-1,2-dihydroisoquinoline-1-carbonitrile|CS-0314523
      844-25-7

    References

    • Popp, Frank D.; Kant, Joydeep Heterocycles, 1985 , vol. 23, # 9 p. 2193 - 2195

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.1
  • LogP   3.37798
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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