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CS-W001157 4
Total: USD 88.00

3-Cyanophenyl acetate

  • CAS No. 55682-11-6

  • Cat. No. CS-0580705
  • Purity≥98%
  • MDL No.None

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

3-Cyanophenyl acetate|CS-0580705

Structure of 55682-11-6

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General Information

  • CAS No. 55682-11-6
  • Cat. No. CS-0580705
  • 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) None
  • SMILES CC(=O)OC1=CC=CC(=C1)C#N

Synthesis

  • Route1
    • null|null
      122-46-3
    • ~90%
    • 3-Cyanophenyl acetate|CS-0580705
      55682-11-6

    References

    • Shu, Zhibin; Ye, Yuxuan; Deng, Yifan; Zhang, Yan; Wang, Jianbo Angewandte Chemie - International Edition, 2013 , vol. 52, # 40 p. 10573 - 10576 Angew. Chem., 2013 , vol. 125, # 40 p. 10767 - 10770,4
  • Route2

    References

    • PFIZER PRODUCTS INC. Patent: WO2008/65508 A1, 2008 ; Location in patent: Page/Page column 25-26 ;
  • Route3

    References

    • Koh, Han Joong; Kim, Seung Il; Lee, Byung Choon; Lee, Ikchoon Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1996 , # 7 p. 1353 - 1358

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P362+P364-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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