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CS-W001157 4
Total: USD 88.00

(4-Cyano-3-fluorophenyl) 4-propylbenzoate

  • CAS No. 86776-51-4

  • Cat. No. CS-0059785
  • Purity≥97%
  • MDL No.None

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

(4-Cyano-3-fluorophenyl) 4-propylbenzoate|CS-0059785

Structure of 86776-51-4

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General Information

  • CAS No. 86776-51-4
  • Cat. No. CS-0059785
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₄FNO₂
  • Molecular Weight 283.30
  • Synonym(s) 4-Propylbenzoic Acid 4-Cyano-3-fluorophenyl Ester
  • SMILES C(C=1C=CC(=CC1)CCC)(=O)OC=2C=C(C(=CC2)C#N)F

Synthesis

  • Route1
    • null|null
      584-48-5
    • ~%
    • (4-Cyano-3-fluorophenyl) 4-propylbenzoate|CS-0059785
      86776-51-4

    References

    • Sasaki; Takeuchi; Sato; Takatsu Molecular crystals and liquid crystals, 1984 , vol. 109, # 2-4 p. 169 - 178
  • Route2
    • null|null
      108-86-1
    • ~%
    • (4-Cyano-3-fluorophenyl) 4-propylbenzoate|CS-0059785
      86776-51-4

    References

    • Sasaki; Takeuchi; Sato; Takatsu Molecular crystals and liquid crystals, 1984 , vol. 109, # 2-4 p. 169 - 178
  • Route3

    References

    • Sasaki; Takeuchi; Sato; Takatsu Molecular crystals and liquid crystals, 1984 , vol. 109, # 2-4 p. 169 - 178

Safety Information

Download SDS
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   3.86908
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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