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CS-W001157 4
Total: USD 88.00

2-Nitro-4-methylsulfonylbenzoic acid

  • CAS No. 110964-79-9

  • Cat. No. CS-W001135
  • Purity≥98%
  • MDL No.MFCD01941299

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

2-Nitro-4-methylsulfonylbenzoic acid|CS-W001135

Structure of 110964-79-9

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General Information

  • CAS No. 110964-79-9
  • Cat. No. CS-W001135
  • Purity ≥98%
  • MDL No. MFCD01941299
  • 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-2-nitrobenzoic acid
  • SMILES [O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C

Synthesis

  • Route1

    References

    • WO2004/58698 A1, ; Page/Page column 9 ;
  • Route2
    • null|null
      788133-24-4
    • In-stock
      1-Methyl-4-(methylsulfonyl)-2-nitrobenzene|CS-W013168
      1671-49-4
    • ~%
    • In-stock
      2-Nitro-4-methylsulfonylbenzoic acid|CS-W001135
      110964-79-9

    References

    • US5424481 A1, ;
  • Route3
    • null|null
      788133-24-4
    • In-stock
      1-Methyl-4-(methylsulfonyl)benzene|CS-0117038
      3185-99-7
    • ~%
    • In-stock
      2-Nitro-4-methylsulfonylbenzoic acid|CS-W001135
      110964-79-9

    References

    • US5424481 A1, ;

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+P364-P403+P233-P405-P501

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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