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CS-W001157 4
Total: USD 88.00

2-Phenylhexanenitrile

  • CAS No. 3508-98-3

  • Cat. No. CS-0581465
  • Molecule weight173.25
  • Purity≥98%
  • MDL No.None

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

2-Phenylhexanenitrile|CS-0581465

Structure of 3508-98-3

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General Information

  • CAS No. 3508-98-3
  • Cat. No. CS-0581465
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅N
  • Molecular Weight 173.25
  • Synonym(s) 2-Phenylcapronitrile
  • SMILES CCCCC(C1=CC=CC=C1)C#N

Synthesis

  • Route1
    • null|null
      542-69-8
    • null|null
      140-29-4
    • ~64%
    • 2-Phenylhexanenitrile|CS-0581465
      3508-98-3

    References

    • Hartmann, Rolf W.; Batzl, Christine Journal of Medicinal Chemistry, 1986 , vol. 29, # 8 p. 1362 - 1369
  • Route2
    • null|null
      140-29-4
    • null|null
      71-36-3
    • ~92%
    • 2-Phenylhexanenitrile|CS-0581465
      3508-98-3

    References

    • Motokura, Ken; Nishimura, Daisuke; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi Journal of the American Chemical Society, 2004 , vol. 126, # 18 p. 5662 - 5663
  • Route3
    • null|null
      109-69-3
    • null|null
      140-29-4
    • ~%
    • 2-Phenylhexanenitrile|CS-0581465
      3508-98-3

    References

    • Rohm and Haas Company Patent: US4225723 A1, 1980 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H411
Precautionary Statements : P264-P270-P273-P330-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.48398
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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