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CS-W001157 4
Total: USD 88.00

2-Phenacylpropanedinitrile

  • CAS No. 14476-72-3

  • Cat. No. CS-0035836
  • Molecule weight184.19
  • Purity98+%
  • MDL No.None

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

2-Phenacylpropanedinitrile|CS-0035836

Structure of 14476-72-3

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General Information

  • CAS No. 14476-72-3
  • Cat. No. CS-0035836
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂O
  • Molecular Weight 184.19
  • Synonym(s) Vonoprazan-035
  • SMILES C1=CC=C(C=C1)C(=O)CC(C#N)C#N

Synthesis

  • Route1
    • null|null
      70-11-1
    • null|null
      109-77-3
    • ~95%
    • 2-Phenacylpropanedinitrile|CS-0035836
      14476-72-3

    References

    • Elnagdi, Mohamed Hilmy; El-Ghamry, Ibrahim; Kandeel, Ezz; Rahman, A. H. Abdel; Al-Naggar, Abdul Aziz; et al. Gazzetta Chimica Italiana, 1997 , vol. 127, # 12 p. 791 - 794
  • Route2
    • null|null
      105-36-2
    • null|null
      109-77-3
    • ~%
    • 2-Phenacylpropanedinitrile|CS-0035836
      14476-72-3

    References

    • Omar, Mohamed A.; Shaker, Yasser M.; Galal, Shadia A.; Ali, Mamdouh M.; Kerwin, Sean M.; Li, Jing; Tokuda, Harukuni; Ramadan, Raghda A.; El Diwani, Hoda I. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 24 p. 6989 - 7001
  • Route3
    • null|null
      109-77-3
    • ~%
    • 2-Phenacylpropanedinitrile|CS-0035836
      14476-72-3

    References

    • Fuentes, Jose; Molina, Jose L.; Pradera, M. Angeles Tetrahedron Asymmetry, 1998 , vol. 9, # 14 p. 2517 - 2532

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.65
  • LogP   1.92276
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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