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CS-W001157 4
Total: USD 88.00

Phenyl thiocyanate

  • CAS No. 5285-87-0

  • Cat. No. CS-0116674
  • Molecule weight135.19
  • Purity≥95%
  • MDL No.None

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

Phenyl thiocyanate|CS-0116674

Structure of 5285-87-0

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General Information

  • CAS No. 5285-87-0
  • Cat. No. CS-0116674
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NS
  • Molecular Weight 135.19
  • Synonym(s) PHENYLTHIOCYANATE
  • SMILES N#CSC1=CC=CC=C1

Synthesis

  • Route1

    References

    • Sun, Nan; Zhang, Han; Mo, Weimin; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan Synlett, 2013 , vol. 24, # 11 art. no. ST-2013-W0236-L, p. 1443 - 1447
  • Route2
    • null|null
      557-42-6
    • null|null
      591-51-5
    • ~91%
    • Phenyl thiocyanate|CS-0116674
      5285-87-0

    References

    • Takagi, Kentaro; Takachi, Hideaki; Sasaki, Ken Journal of Organic Chemistry, 1995 , vol. 60, # 20 p. 6552 - 6556
  • Route3
    • null|null
      333-20-0
    • Benzenediazonium, tetrafluoroboranuide|CS-0260663
      369-57-3
    • ~86%
    • Phenyl thiocyanate|CS-0116674
      5285-87-0

    References

    • Beletskaya, Irina P.; Sigeev, Alexander S.; Peregudov, Alexander S.; Petrovskii, Pavel V. Mendeleev Communications, 2006 , # 5 p. 250 - 251

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.25978
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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