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CS-W001157 4
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4-(2-Methylallyl)benzonitrile

  • CAS No. 97780-97-7

  • Cat. No. CS-0587157
  • Purity≥98%
  • MDL No.None

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

4-(2-Methylallyl)benzonitrile|CS-0587157

Structure of 97780-97-7

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General Information

  • CAS No. 97780-97-7
  • Cat. No. CS-0587157
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁N
  • Molecular Weight 157.21
  • Synonym(s) 3-(4-Cyanophenyl)-2-methyl-1-propene
  • SMILES CC(=C)CC1=CC=C(C=C1)C#N

Synthesis

  • Route1
    • In-stock
      Terephthalonitrile|CS-0016004
      623-26-7
    • null|null
      18292-38-1
    • ~79%
    • null|null
      7677-24-9
    • 4-(2-Methylallyl)benzonitrile|CS-0587157
      97780-97-7

    References

    • Mizuno, Kazuhiko; Ikeda, Munehiro; Otsuji, Yoshio Tetrahedron Letters, 1985 , vol. 26, # 4 p. 461 - 464
  • Route2

    References

    • Nakanishi, Kazuhisa; Mizuno, Kazuhiko; Otsuji, Yoshio Bulletin of the Chemical Society of Japan, 1993 , vol. 66, # 8 p. 2371 - 2379

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   2.67688
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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