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CS-W001157 4
Total: USD 88.00

1-(2-Chlorophenyl)-4-oxocyclohexane-1-carbonitrile

  • CAS No. 65618-88-4

  • Cat. No. CS-0331469
  • Molecule weight233.69
  • Purity95+%
  • MDL No.None

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

1-(2-Chlorophenyl)-4-oxocyclohexane-1-carbonitrile|CS-0331469

Structure of 65618-88-4

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General Information

  • CAS No. 65618-88-4
  • Cat. No. CS-0331469
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂ClNO
  • Molecular Weight 233.69
  • Synonym(s) 4-Cyano-4-(2-Chlorophenyl)Cyclohexanone
  • SMILES C1=CC=C(C(=C1)C2(CCC(=O)CC2)C#N)Cl

Synthesis

  • Route1
    • null|null
      65618-87-3
    • ~77%
    • 1-(2-Chlorophenyl)-4-oxocyclohexane-1-carbonitrile|CS-0331469
      65618-88-4

    References

    • Lednicer, Daniel; VonVoigtlander, Philip F.; Emmert, D. Edward Journal of Medicinal Chemistry, 1980 , vol. 23, # 4 p. 424 - 430

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   3.24448
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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