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CS-W001157 4
Total: USD 88.00

2-Nitrobenzenethiol

  • CAS No. 4875-10-9

  • Cat. No. CS-0539694
  • Purity≥97%
  • MDL No.MFCD00797853

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

2-Nitrobenzenethiol|CS-0539694

Structure of 4875-10-9

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General Information

  • CAS No. 4875-10-9
  • Cat. No. CS-0539694
  • Purity ≥97%
  • MDL No. MFCD00797853
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₂S
  • Molecular Weight 155.17
  • Synonym(s) 2-Nitrothiophenol
  • SMILES C1=CC=C(C(=C1)[N+](=O)[O-])S

Synthesis

  • Route1

    References

    • Li; Farmer; Xie; Quilliam; Pleasance; Howlett; Yeung Journal of medicinal chemistry, 1992 , vol. 35, # 17 p. 3246 - 3253
  • Route2
    • null|null
      88-73-3
    • ~86%
    • 2-Nitrobenzenethiol|CS-0539694
      4875-10-9

    References

    • Battistoni, Paolo; Bruni, Paolo; Fava, Gabriele Gazzetta Chimica Italiana, 1980 , vol. 110, # 5/6 p. 301 - 304
  • Route3

    References

    • Synthetic Communications, , vol. 30, # 21 p. 3905 - 3911

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3335
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H318-H411
Precautionary Statements : P264-P270-P273-P280-P302+P352-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   1.8835
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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