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CS-W001157 4
Total: USD 88.00

4-(trans-4-Butylcyclohexyl)benzonitrile

  • CAS No. 61204-00-0

  • Cat. No. CS-0152440
  • Purity≥97%
  • MDL No.MFCD00799425

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

4-(trans-4-Butylcyclohexyl)benzonitrile|CS-0152440

Structure of 61204-00-0

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General Information

  • CAS No. 61204-00-0
  • Cat. No. CS-0152440
  • Purity ≥97%
  • MDL No. MFCD00799425
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₃N
  • Molecular Weight 241.37
  • Synonym(s) trans-4-Butyl-1-(4-cyanophenyl)cyclohexane
  • SMILES CCCC[C@H]1CC[C@@H](CC1)C2=CC=C(C=C2)C#N

Synthesis

  • Route1
    • null|null
      83626-30-6
    • ~%
    • 4-(trans-4-Butylcyclohexyl)benzonitrile|CS-0152440
      61204-00-0

    References

    • Molecular crystals and liquid crystals, , vol. 88, # 1-4 p. 55 - 64
  • Route2
    • null|null
      61203-95-0
    • ~%
    • 4-(trans-4-Butylcyclohexyl)benzonitrile|CS-0152440
      61204-00-0

    References

    • Molecular crystals and liquid crystals, , vol. 88, # 1-4 p. 55 - 64
  • Route3
    • 4-(trans-4-Butylcyclohexyl)benzoic acid|CS-0152439
      83626-35-1
    • ~%
    • 4-(trans-4-Butylcyclohexyl)benzonitrile|CS-0152440
      61204-00-0

    References

    • Molecular crystals and liquid crystals, , vol. 88, # 1-4 p. 55 - 64

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   5.02228
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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