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CS-W001157 4
Total: USD 88.00

1-(3-Nitrophenyl)-2-thiocyanatoethan-1-one

  • CAS No. 6097-22-9

  • Cat. No. CS-0315770
  • Molecule weight222.22
  • Purity95+%
  • MDL No.None

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

1-(3-Nitrophenyl)-2-thiocyanatoethan-1-one|CS-0315770

Structure of 6097-22-9

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General Information

  • CAS No. 6097-22-9
  • Cat. No. CS-0315770
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₃S
  • Molecular Weight 222.22
  • Synonym(s) 3-Nitrophenacyl thiocyanate
  • SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC#N

Synthesis

  • Route1
    • null|null
      99-47-8
    • null|null
      333-20-0
    • ~%
    • 1-(3-Nitrophenyl)-2-thiocyanatoethan-1-one|CS-0315770
      6097-22-9

    References

    • Journal of the American Chemical Society, , vol. 61, p. 1830 Roczniki Chemii, , vol. 10, p. 555,561 Chem. Zentralbl., , vol. 101, # II p. 3274
  • Route2

    References

    • Bulletin of the Korean Chemical Society, , vol. 33, # 1 p. 111 - 114
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 56, # 10 p. 3833 - 3851

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312+H332-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   84
  • LogP   1.99178
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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