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CS-W001157 4
Total: USD 88.00

3-Phenylpropionitrile

  • CAS No. 645-59-0

  • Cat. No. CS-0071491
  • Molecule weight131.17
  • Purity≥97%
  • MDL No.MFCD00001961

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

3-Phenylpropionitrile|CS-0071491

Structure of 645-59-0

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General Information

  • CAS No. 645-59-0
  • Cat. No. CS-0071491
  • Purity ≥97%
  • MDL No. MFCD00001961
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N
  • Molecular Weight 131.17
  • Synonym(s) Phenylpropionitrile
  • SMILES N#CCCC1=CC=CC=C1

Synthesis

  • Route1
    • trans-Cinnamonitrile|CS-W011118
      1885-38-7
    • ~98%
    • In-stock
      3-Phenylpropionitrile|CS-0071491
      645-59-0

    References

    • Callis, Nuria Miro; Thiery, Emilie; Le Bras, Jean; Muzart, Jacques Tetrahedron Letters, 2007 , vol. 48, # 46 p. 8128 - 8131
  • Route2
    • Cinnamonitrile|CS-0166766
      4360-47-8
    • ~99%
    • In-stock
      3-Phenylpropionitrile|CS-0071491
      645-59-0

    References

    • Yabe, Yuki; Sawama, Yoshinari; Yamada, Tsuyoshi; Nagata, Saori; Monguchi, Yasunari; Sajiki, Hironao ChemCatChem, 2013 , vol. 5, # 8 p. 2360 - 2366
  • Route3
    • null|null
      1197-50-8
    • ~99%
    • In-stock
      3-Phenylpropionitrile|CS-0071491
      645-59-0

    References

    • Heravi, Majid M.; Bakhtiari, Khadijeh; Shoar, Rahim Hekmat; Oskooie, Hossein A. Journal of Chemical Research, 2005 , # 9 p. 590 - 591

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.14278
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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