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CS-W001157 4
Total: USD 88.00

3-(3-Chlorophenethyl)picolinonitrile

  • CAS No. 31255-57-9

  • Cat. No. CS-0359492
  • Molecule weight242.70
  • Purity≥97%
  • MDL No.MFCD02942420

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

3-(3-Chlorophenethyl)picolinonitrile|CS-0359492

Structure of 31255-57-9

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General Information

  • CAS No. 31255-57-9
  • Cat. No. CS-0359492
  • Purity ≥97%
  • MDL No. MFCD02942420
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁ClN₂
  • Molecular Weight 242.70
  • Synonym(s) 3-[2-(3-Chlorophenyl)ethyl]pyridine-2-carbonitrile
  • SMILES C1=CC(=CC(=C1)Cl)CCC2=C(C#N)N=CC=C2

Synthesis

  • Route1
    • null|null
      31255-47-7
    • null|null
      143-33-9
    • ~73%
    • In-stock
      3-(3-Chlorophenethyl)picolinonitrile|CS-0359492
      31255-57-9

    References

    • MOREPEN LABORATORIES LIMITED Patent: WO2006/6184 A2, 2006 ; Location in patent: Page/Page column 14 ;
  • Route2
    • N-(Tert-Butyl)-3-(3-chlorophenethyl)picolinamide|CS-0767105
      107285-30-3
    • ~74%
    • In-stock
      3-(3-Chlorophenethyl)picolinonitrile|CS-0359492
      31255-57-9

    References

    • Karcher, Solveigh C.; Laufer, Stefan A. Journal of Medicinal Chemistry, 2009 , vol. 52, # 6 p. 1778 - 1782
  • Route3
    • N-(tert-Butyl)-3-methylpicolinamide|CS-0172072
      32998-95-1
    • ~%
    • In-stock
      3-(3-Chlorophenethyl)picolinonitrile|CS-0359492
      31255-57-9

    References

    • Journal of Organic Chemistry, , vol. 54, # 9 p. 2242 - 2244

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   3.39188
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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