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CS-W001157 4
Total: USD 88.00

4-Cyanophenyl acetate

  • CAS No. 13031-41-9

  • Cat. No. CS-0444219
  • Purity≥98%
  • MDL No.None

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

4-Cyanophenyl acetate|CS-0444219

Structure of 13031-41-9

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General Information

  • CAS No. 13031-41-9
  • Cat. No. CS-0444219
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) p-Cyanophenyl acetate
  • SMILES CC(=O)OC1=CC=C(C=C1)C#N

Synthesis

  • Route1

    References

    • Okamoto, Noriko; Ishikura, Minoru; Yanada, Reiko Organic Letters, 2013 , vol. 15, # 11 p. 2571 - 2573
  • Route2
    • null|null
      1435331-57-9
    • ~72%
    • null|null
      21703-06-0
    • 4-Cyanophenyl acetate|CS-0444219
      13031-41-9

    References

    • Okamoto, Noriko; Ishikura, Minoru; Yanada, Reiko Organic Letters, 2013 , vol. 15, # 11 p. 2571 - 2573
  • Route3
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • null|null
      75-36-5
    • ~99%
    • 4-Cyanophenyl acetate|CS-0444219
      13031-41-9

    References

    • O'Brien, Nathan J.; Amran, Syazwani; Medan, Jelena; Cleary, Ben; Deady, Leslie W.; Jennings, Ian G.; Thompson, Philip E.; Abbott, Belinda M. ChemMedChem, 2013 , vol. 8, # 6 p. 914 - 918

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-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   50.09
  • LogP   1.48358
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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