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CS-W001157 4
Total: USD 88.00

4-Methylphenacyl thiocyanate

  • CAS No. 6097-27-4

  • Cat. No. CS-0213313
  • Purity≥97%
  • MDL No.MFCD00278207

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

4-Methylphenacyl thiocyanate|CS-0213313

Structure of 6097-27-4

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General Information

  • CAS No. 6097-27-4
  • Cat. No. CS-0213313
  • Purity ≥97%
  • MDL No. MFCD00278207
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NOS
  • Molecular Weight 191.25
  • Synonym(s) 2-(4-Methylphenyl)-2-oxoethyl thiocyanate
  • SMILES CC1=CC=C(C=C1)C(=O)CSC#N

Synthesis

  • Route1

    References

    • Meshram; Thakur, Pramod B.; Madhu Babu; Bangade, Vikas M. Tetrahedron Letters, 2012 , vol. 53, # 14 p. 1780 - 1785
  • Route2
    • null|null
      1147550-11-5
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~93%
    • 4-Methylphenacyl thiocyanate|CS-0213313
      6097-27-4

    References

    • Wu, Liqiang; Yang, Xiaojuan; Yan, Fulin Journal of Sulfur Chemistry, 2011 , vol. 32, # 2 p. 105 - 110
  • Route3
    • null|null
      622-97-9
    • null|null
      1147550-11-5
    • ~72%
    • 4-Methylphenacyl thiocyanate|CS-0213313
      6097-27-4

    References

    • Nair, Vijay; Nair, Latha G; George, Tesmol G; Augustine, Anu Tetrahedron, 2000 , vol. 56, # 38 p. 7607 - 7611

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.392
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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