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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)-2-thiocyanatoethan-1-one

  • CAS No. 19339-59-4

  • Cat. No. CS-0316374
  • Purity95+%
  • MDL No.None

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

1-(4-Chlorophenyl)-2-thiocyanatoethan-1-one|CS-0316374

Structure of 19339-59-4

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General Information

  • CAS No. 19339-59-4
  • Cat. No. CS-0316374
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNOS
  • Molecular Weight 211.67
  • Synonym(s) 2-(4-Chlorophenyl)-2-oxoethyl thiocyanate
  • SMILES C1=C(C=CC(=C1)Cl)C(=O)CSC#N

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd.; Kusaka, Masami Patent: EP1348706 A1, 2003 ; Location in patent: Page/Page column 40 ;
  • Route2
    • null|null
      1147550-11-5
    • null|null
      99-91-2
    • ~88%
    • 1-(4-Chlorophenyl)-2-thiocyanatoethan-1-one|CS-0316374
      19339-59-4

    References

    • Wu, Liqiang; Yang, Xiaojuan Phosphorus, Sulfur and Silicon and the Related Elements, 2012 , vol. 187, # 6 p. 748 - 753
  • Route3

    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+H312+H332-H317
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.73698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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