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CS-W001157 4
Total: USD 88.00

4-Heptoxybenzonitrile

  • CAS No. 29147-88-4

  • Cat. No. CS-0037591
  • Purity95+%
  • MDL No.MFCD00143323

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

4-Heptoxybenzonitrile|CS-0037591

Structure of 29147-88-4

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General Information

  • CAS No. 29147-88-4
  • Cat. No. CS-0037591
  • Purity 95+%
  • MDL No. MFCD00143323
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO
  • Molecular Weight 217.31
  • Synonym(s) 4-N-Heptyloxybenzonitrile
  • SMILES CCCCCCCOC1=CC=C(C=C1)C#N

Synthesis

  • Route1
    • null|null
      557-21-1
    • 1-Bromo-4-(heptyloxy)benzene|CS-0718112
      123732-04-7
    • ~75%
    • In-stock
      4-Heptoxybenzonitrile|CS-0037591
      29147-88-4

    References

    • RECEPTOS, INC.; BOEHM, Marcus, F.; MARTINBOROUGH, Esther; MOORJANI, Manisha; TAMIYA, Junko; HUANG, Liming; YEAGER, Adam, R.; BRAHMACHARY, Enugurthi; FOWLER, Thomas; NOVAK, Andrew; MEGHANI, Premji; KNAGGS, Michael Patent: WO2013/90454 A2, 2013 ; Location in patent: Paragraph 00249 ;
  • Route2

    References

    • Tunoori, Ashok Rao; Dutta, Dinah; Georg, Gunda I. Tetrahedron Letters, 1998 , vol. 39, # 48 p. 8751 - 8754
  • Route3

    References

    • Gallardo, H.; Begnini, I. M. Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1995 , vol. 258, p. 85 - 94

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   3.90748
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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