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CS-W001157 4
Total: USD 88.00

6-Phenoxy-3-pyridinecarbonitrile

  • CAS No. 99902-72-4

  • Cat. No. CS-0039181
  • Purity≥95%
  • MDL No.MFCD00205454

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

6-Phenoxy-3-pyridinecarbonitrile|CS-0039181

Structure of 99902-72-4

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General Information

  • CAS No. 99902-72-4
  • Cat. No. CS-0039181
  • Purity ≥95%
  • MDL No. MFCD00205454
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈N₂O
  • Molecular Weight 196.20
  • Synonym(s) 6-Phenoxynicotinonitrile
  • SMILES N#CC1=CC=C(OC2=CC=CC=C2)N=C1

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP1500658 A1, 2005 ; Location in patent: Page 50 ; EP 1500658 A1
  • Route2
    • null|null
      557-21-1
    • 5-Bromo-2-phenoxypyridine|CS-0194926
      59717-96-3
    • ~82%
    • 6-Phenoxy-3-pyridinecarbonitrile|CS-0039181
      99902-72-4

    References

    • Zhu, Yongbao; Cameron, Beth R.; Skerlj, Renato T. Journal of Organometallic Chemistry, 2003 , vol. 677, # 1-2 p. 57 - 72
  • Route3

    References

    • Journal of Organometallic Chemistry, , vol. 677, # 1-2 p. 57 - 72

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

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Computational Chemistry Data

  • TPSA   45.91
  • LogP   2.74558
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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