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CS-W001157 4
Total: USD 88.00

4-Allylbenzonitrile

  • CAS No. 51980-05-3

  • Cat. No. CS-0530877
  • Molecule weight143.19
  • Purity≥98%
  • MDL No.MFCD01319568

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

4-Allylbenzonitrile|CS-0530877

Structure of 51980-05-3

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General Information

  • CAS No. 51980-05-3
  • Cat. No. CS-0530877
  • Purity ≥98%
  • MDL No. MFCD01319568
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N
  • Molecular Weight 143.19
  • Synonym(s) 3-(4-Cyanophenyl)-1-propene
  • SMILES N#CC1=CC=C(CC=C)C=C1

Synthesis

  • Route1
    • In-stock
      4-Chlorobenzonitrile|CS-W018544
      623-03-0
    • null|null
      591-87-7
    • ~83%
    • 4-Allylbenzonitrile|CS-0530877
      51980-05-3
    • null|null
      100-47-0

    References

    • Gomes, Paulo; Gosmini, Corinne; Perichon, Jacques Organic Letters, 2003 , vol. 5, # 7 p. 1043 - 1045
  • Route2

    References

    • ELI LILLY AND COMPANY Patent: WO2005/54202 A1, 2005 ; Location in patent: Page/Page column 42 ; WO 2005/054202 A1
  • Route3
    • null|null
      591-87-7
    • In-stock
      4-Bromobenzonitrile|CS-W004663
      623-00-7
    • ~76%
    • 4-Allylbenzonitrile|CS-0530877
      51980-05-3
    • null|null
      100-47-0

    References

    • Gomes, Paulo; Gosmini, Corinne; Perichon, Jacques Organic Letters, 2003 , vol. 5, # 7 p. 1043 - 1045

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.28678
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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