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CS-W001157 4
Total: USD 88.00

6-Phenylnicotinonitrile

  • CAS No. 39065-54-8

  • Cat. No. CS-0452122
  • Purity≥98%
  • MDL No.None

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

6-Phenylnicotinonitrile|CS-0452122

Structure of 39065-54-8

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General Information

  • CAS No. 39065-54-8
  • Cat. No. CS-0452122
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈N₂
  • Molecular Weight 180.21
  • Synonym(s) 6-Phenylpyridine-3-carbonitrile, 3-Cyano-6-phenylpyridine
  • SMILES C1=CC=C(C=C1)C2=NC=C(C=C2)C#N

Synthesis

  • Route1

    References

    • ELI LILLY AND COMPANY Patent: WO2005/51945 A1, 2005 ; Location in patent: Page/Page column 73 ; WO 2005/051945 A1
  • Route2
    • null|null
      14906-64-0
    • null|null
      100-59-4
    • ~61%
    • 6-Phenylnicotinonitrile|CS-0452122
      39065-54-8

    References

    • Andersson, Hans; Sainte-Luce Banchelin, Thomas; Das, Sajal; Olsson, Roger; Almqvist, Fredrik Chemical Communications, 2010 , vol. 46, # 19 p. 3384 - 3386
  • Route3

    References

    • Zhang; Thomas; Wu Journal of Organic Chemistry, 2001 , vol. 66, # 4 p. 1500 - 1502

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-H332-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   36.68
  • LogP   2.62028
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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