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CS-W001157 4
Total: USD 88.00

4-(4-Chlorophenyl)-4-methylpentan-2-one

  • CAS No. 6269-30-3

  • Cat. No. CS-0466021
  • Molecule weight210.70
  • Purity≥98%
  • MDL No.None

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

4-(4-Chlorophenyl)-4-methylpentan-2-one|CS-0466021

Structure of 6269-30-3

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General Information

  • CAS No. 6269-30-3
  • Cat. No. CS-0466021
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅ClO
  • Molecular Weight 210.70
  • Synonym(s) 4-(4-chlorophenyl)-4-methyl-pentan-2-one
  • SMILES CC(=O)CC(C)(C)C1=CC=C(C=C1)Cl

Synthesis

  • Route1
    • 2-(4-Chlorophenyl)-2-methylpropanenitrile|CS-0214917
      30568-32-2
    • null|null
      2386-64-3
    • ~19%
    • 4-(4-Chlorophenyl)-4-methylpentan-2-one|CS-0466021
      6269-30-3

    References

    • Baumann, Karlheinz; Flohr, Alexander; Goetschi, Erwin; Jacobsen, Helmut; Jolidon, Synese; Luebbers, Thomas Patent: US2009/215759 A1, 2009 ; Location in patent: Page/Page column 24-25 ;
  • Route2

    References

    • Klement, Ingo; Stadtmueller, Heinz; Knochel, Paul; Cahiez, Gerard Tetrahedron Letters, 1997 , vol. 38, # 11 p. 1927 - 1930
  • Route3
    • null|null
      141-79-7
    • null|null
      108-90-7
    • ~%
    • 4-(4-Chlorophenyl)-4-methylpentan-2-one|CS-0466021
      6269-30-3

    References

    • Corse; Rohrmann Journal of the American Chemical Society, 1948 , vol. 70, p. 370

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   17.07
  • LogP   3.5967
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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