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CS-W001157 4
Total: USD 88.00

5-Oxo-5-phenylpentanenitrile

  • CAS No. 10413-00-0

  • Cat. No. CS-0586739
  • Molecule weight173.21
  • Purity≥98%
  • MDL No.None

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

5-Oxo-5-phenylpentanenitrile|CS-0586739

Structure of 10413-00-0

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General Information

  • CAS No. 10413-00-0
  • Cat. No. CS-0586739
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO
  • Molecular Weight 173.21
  • Synonym(s) 5-Oxo-5-phenylvaleronitrile
  • SMILES C1=CC=C(C=C1)C(=O)CCCC#N

Synthesis

  • Route1
    • null|null
      7726-45-6
    • ~72%
    • 5-Oxo-5-phenylpentanenitrile|CS-0586739
      10413-00-0

    References

    • Moriyama, Katsuhiko; Takemura, Misato; Togo, Hideo Organic Letters, 2012 , vol. 14, # 9 p. 2414 - 2417
  • Route2
    • null|null
      7726-45-6
    • ~61%
    • 5-Oxo-5-phenylpentanenitrile|CS-0586739
      10413-00-0
    • null|null
      1373439-91-8

    References

    • Organic Letters, , vol. 14, # 9 p. 2414 - 2417
  • Route3

    References

    • Nair, Vijay; Panicker, Sreeletha B; Thomas, Siji; Santhi; Mathai, Sindhu Tetrahedron, 2002 , vol. 58, # 16 p. 3229 - 3234

Safety Information

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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   40.86
  • LogP   2.56318
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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