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CS-W001157 4
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3-(4-Nitrophenyl)propanenitrile

  • CAS No. 53563-09-0

  • Cat. No. CS-0574822
  • Molecule weight176.17
  • Purity≥98%
  • MDL No.None

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

3-(4-Nitrophenyl)propanenitrile|CS-0574822

Structure of 53563-09-0

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General Information

  • CAS No. 53563-09-0
  • Cat. No. CS-0574822
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 3-(4-Nitrophenyl)propionitrile
  • SMILES C1=CC(=CC=C1CCC#N)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • WO2005/54238 A1, ; Page/Page column 101 ; WO 2005/054238 A1
  • Route2
    • null|null
      107-13-1
    • null|null
      100-16-3
    • ~45%
    • 3-(4-Nitrophenyl)propanenitrile|CS-0574822
      53563-09-0
    • null|null
      98-95-3

    References

    • Tetrahedron Letters, , vol. 30, # 35 p. 4709 - 4712
  • Route3
    • null|null
      636-98-6
    • null|null
      107-13-1
    • ~31%
    • 3-(4-Nitrophenyl)propanenitrile|CS-0574822
      53563-09-0
    • null|null
      31145-10-5
    • null|null
      27892-88-2

    References

    • Senra, Jaqueline D.; Malta, Luiz Fernando B.; Souza, Andrea Luzia F.; Aguiar, Lucia C. S.; Antunesa Advanced Synthesis and Catalysis, 2008 , vol. 350, # 16 p. 2551 - 2558

Safety Information

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

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   2.05098
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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