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CS-W001157 4
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(1S,3s,5s)-cyclohexane-1,3,5-tricarbonitrile

  • CAS No. 168280-46-4

  • Cat. No. CS-0503937
  • Molecule weight159.19
  • Purity≥98%
  • MDL No.None

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

(1S,3s,5s)-cyclohexane-1,3,5-tricarbonitrile|CS-0503937

Structure of 168280-46-4

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General Information

  • CAS No. 168280-46-4
  • Cat. No. CS-0503937
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃
  • Molecular Weight 159.19
  • Synonym(s) (1α,3α,5α)-1,3,5-Tricyanocyclohexane
  • SMILES N#C[C@H]1C[C@@H](C#N)C[C@@H](C#N)C1

Synthesis

  • Route1
    • null|null
      99063-92-0
    • ~75%
    • (1S,3s,5s)-cyclohexane-1,3,5-tricarbonitrile|CS-0503937
      168280-46-4

    References

    • Mayer, Hermann A.; Stoessel, Philipp; Fawzi, Riad; Steimann, Manfred Chemische Berichte, 1995 , vol. 128, # 7 p. 719 - 724
  • Route2

    References

    • Journal of the Chinese Chemical Society, , vol. 48, # 2 p. 193 - 200
  • Route3
    • null|null
      147365-19-3
    • ~%
    • (1S,3s,5s)-cyclohexane-1,3,5-tricarbonitrile|CS-0503937
      168280-46-4

    References

    • Journal of the Chinese Chemical Society, , vol. 48, # 2 p. 193 - 200

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.37
  • LogP   1.58964
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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