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CS-W001157 4
Total: USD 88.00

4-Methanesulfonyl-3-nitro-benzoic acid

  • CAS No. 81029-08-5

  • Cat. No. CS-0210244
  • Molecule weight245.21
  • Purity≥95%
  • MDL No.MFCD00025071

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

4-Methanesulfonyl-3-nitro-benzoic acid|CS-0210244

Structure of 81029-08-5

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General Information

  • CAS No. 81029-08-5
  • Cat. No. CS-0210244
  • Purity ≥95%
  • MDL No. MFCD00025071
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₆S
  • Molecular Weight 245.21
  • Synonym(s) 4-methylsulfonyl-3-nitro-benzoic acid
  • SMILES CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • 4-(Methylsulfanyl)-3-nitrobenzoic acid|CS-0221353
      64399-24-2
    • ~89%
    • In-stock
      4-Methanesulfonyl-3-nitro-benzoic acid|CS-0210244
      81029-08-5

    References

    • SCHERING AKTIENGESELLSCHAFT Patent: WO2004/48343 A1, 2004 ; Location in patent: Page 109 ; WO 2004/048343 A1
  • Route2
    • null|null
      879148-28-4
    • ~95%
    • In-stock
      4-Methanesulfonyl-3-nitro-benzoic acid|CS-0210244
      81029-08-5

    References

    • Hwang, Jong Yeon; Attia, Ramy R.; Carrillo, Angela K.; Connelly, Michele C.; Guy, R. Kiplin Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 6 p. 1891 - 1895
  • Route3

    References

    • Hwang, Jong Yeon; Attia, Ramy R.; Carrillo, Angela K.; Connelly, Michele C.; Guy, R. Kiplin Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 6 p. 1891 - 1895

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   114.58
  • LogP   0.6965
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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