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CS-W001157 4
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4-cyano-3-fluorophenyl 4-((1r,4s)-4-pentylcyclohexyl)benzoate

  • CAS No. 92118-84-8

  • Cat. No. CS-0062167
  • Purity≥98%
  • MDL No.None

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

4-cyano-3-fluorophenyl 4-((1r,4s)-4-pentylcyclohexyl)benzoate|CS-0062167

Structure of 92118-84-8

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General Information

  • CAS No. 92118-84-8
  • Cat. No. CS-0062167
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₅H₂₈FNO₂
  • Molecular Weight 393.49
  • Synonym(s) 3-Fluoro-4-cyanophenyl trans-4-(4-n-pentylcyclohexyl)-benzoate
  • SMILES O=C(C1=CC=C(C=C1)[C@@]2(CC[C@@](CC2)(CCCCC)[H])[H])OC3=CC=C(C(=C3)F)C#N

Synthesis

  • Route1
    • In-stock
      2-Fluoro-4-hydroxybenzonitrile|CS-W007999
      82380-18-5
    • null|null
      66227-34-7
    • ~67%
    • In-stock
      4-cyano-3-fluorophenyl 4-((1r,4s)-4-pentylcyclohexyl)benzoate|CS-0062167
      92118-84-8

    References

    • Bezborodov, V. S.; Lapanik, V. I. Journal of Organic Chemistry USSR (English Translation), 1990 , vol. 26, # 10.2 p. 1880 - 1882 Zhurnal Organicheskoi Khimii, 1990 , vol. 26, # 10 p. 2178 - 2181

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   6.77068
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   7

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