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CS-W001157 4
Total: USD 88.00

4'-Butoxy-[1,1'-biphenyl]-4-carbonitrile

  • CAS No. 52709-87-2

  • Cat. No. CS-0152085
  • Molecule weight251.32
  • Purity≥98%
  • MDL No.MFCD00183755

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

4'-Butoxy-[1,1'-biphenyl]-4-carbonitrile|CS-0152085

Structure of 52709-87-2

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General Information

  • CAS No. 52709-87-2
  • Cat. No. CS-0152085
  • Purity ≥98%
  • MDL No. MFCD00183755
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₇NO
  • Molecular Weight 251.32
  • Synonym(s) 4'-Butyloxy-4-biphenylcarbonitrile
  • SMILES CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Synthesis

  • Route1

    References

    • Ruolene, Yu. I.; Adomenas, P. V.; Adomenene, O. K.; Denis, G. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 1192 - 1195 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 6 p. 1310 - 1314
  • Route2

    References

    • Debono, Manuel; Turner, William W.; LaGrandeur, Lisa; Burkhadt, Fred J.; Nissen , Jeffrey S.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 17 p. 3271 - 3281
  • Route3
    • 4'-Nitro-[1,1'-biphenyl]-4-carbonitrile|CS-0323607
      31835-63-9
    • ~%
    • 4'-Butoxy-[1,1'-biphenyl]-4-carbonitrile|CS-0152085
      52709-87-2

    References

    • Ruolene, Yu. I.; Adomenas, P. V.; Adomenene, O. K.; Denis, G. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 1192 - 1195 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 6 p. 1310 - 1314

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335-H400-H410
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P362-P391-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   4.40418
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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