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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 43045-16-5

  • Cat. No. CS-0465521
  • Purity≥98%
  • MDL No.MFCD02029655

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

1-(4-Fluorophenyl)-2-thiocyanatoethan-1-one|CS-0465521

Structure of 43045-16-5

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General Information

  • CAS No. 43045-16-5
  • Cat. No. CS-0465521
  • Purity ≥98%
  • MDL No. MFCD02029655
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆FNOS
  • Molecular Weight 195.21
  • Synonym(s) 4-Fluorophenacyl thiocyanate
  • SMILES C1=C(C=CC(=C1)F)C(=O)CSC#N

Synthesis

  • Route1

    References

    • Kono, Mitsunori; Matsumoto, Takahiro; Kawamura, Toru; Nishimura, Atsushi; Kiyota, Yoshihiro; Oki, Hideyuki; Miyazaki, Junichi; Igaki, Shigeru; Behnke, Craig A.; Shimojo, Masato; Kori, Masakuni Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 1 p. 28 - 41
  • Route2
    • null|null
      3488-44-6
    • null|null
      333-20-0
    • ~79%
    • 1-(4-Fluorophenyl)-2-thiocyanatoethan-1-one|CS-0465521
      43045-16-5

    References

    • Yadav; Subba Reddy; Srinivas Chemistry Letters, 2004 , vol. 33, # 7 p. 882 - 883
  • Route3

    References

    • Sanofi-Aventis Deutschland GmbH Patent: EP1741709 A1, 2007 ; Location in patent: Page/Page column 38-39; 41; 43 ;

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-H315-H319-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   40.86
  • LogP   2.22268
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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