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CS-W001157 4
Total: USD 88.00

2-((2-Nitro-4-(trifluoromethyl)phenyl)thio)acetic acid

  • CAS No. 728-56-3

  • Cat. No. CS-0455332
  • Purity≥98%
  • MDL No.None

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

2-((2-Nitro-4-(trifluoromethyl)phenyl)thio)acetic acid|CS-0455332

Structure of 728-56-3

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General Information

  • CAS No. 728-56-3
  • Cat. No. CS-0455332
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO₄S
  • Molecular Weight 281.21
  • Synonym(s) [2-Nitro-4-(trifluoromethyl)phenyl]-thioglycolic acid
  • SMILES C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)O

Synthesis

  • Route1
    • null|null
      68-11-1
    • null|null
      121-17-5
    • ~%
    • 2-((2-Nitro-4-(trifluoromethyl)phenyl)thio)acetic acid|CS-0455332
      728-56-3

    References

    • Coutts,R.T. et al. Canadian Journal of Chemistry, 1965 , vol. 43, p. 3221 - 3231 Show Details Gerasimenko,Yu.E. et al. J. Gen. Chem. USSR (Engl. Transl.), 1962 , vol. 32, # 6 p. 1870 - 1874,1849 - 1852
  • Route2
    • Bis[2-nitro-4-(trifluoromethyl)phenyl] disulfide|CS-0207454
      860-39-9
    • null|null
      79-11-8
    • ~%
    • 2-((2-Nitro-4-(trifluoromethyl)phenyl)thio)acetic acid|CS-0455332
      728-56-3

    References

    • Coutts,R.T. et al. Canadian Journal of Chemistry, 1965 , vol. 43, p. 3221 - 3231

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.7903
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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