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CS-W001157 4
Total: USD 88.00

Cyclohepta-2,4,6-trienecarbonitrile

  • CAS No. 13612-59-4

  • Cat. No. CS-W016593
  • Purity≥95%
  • MDL No.MFCD00191965

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

Cyclohepta-2,4,6-trienecarbonitrile|CS-W016593

Structure of 13612-59-4

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General Information

  • CAS No. 13612-59-4
  • Cat. No. CS-W016593
  • Purity ≥95%
  • MDL No. MFCD00191965
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N
  • Molecular Weight 117.15
  • Synonym(s) 2,4,6-Cycloheptatriene-1-carbonitrile
  • SMILES N#CC1C=CC=CC=C1

Synthesis

  • Route1
    • null|null
      113236-90-1
    • ~%
    • Cyclohepta-2,4,6-trienecarbonitrile|CS-W016593
      13612-59-4

    References

    • Tetrahedron Letters, , vol. 28, # 22 p. 2513 - 2516
  • Route2
    • null|null
      69806-00-4
    • ~%
    • Cyclohepta-2,4,6-trienecarbonitrile|CS-W016593
      13612-59-4

    References

    • Tetrahedron Letters, , vol. 28, # 22 p. 2513 - 2516
  • Route3
    • null|null
      140-90-9
    • null|null
      69806-00-4
    • ~%
    • Cyclohepta-2,4,6-trienecarbonitrile|CS-W016593
      13612-59-4

    References

    • Tetrahedron Letters, , vol. 28, # 22 p. 2513 - 2516

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302+H312+H332
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.80838
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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