Cas no 110964-79-9 (4-Methylsulfonyl-2-nitrobenzoic Acid)

4-Methylsulfonyl-2-nitrobenzoic acid is a nitro-substituted benzoic acid derivative featuring a methylsulfonyl functional group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its distinct structure, combining electron-withdrawing nitro and sulfonyl groups with a carboxylic acid moiety, enables versatile reactivity in nucleophilic substitution and condensation reactions. The methylsulfonyl group enhances solubility in polar solvents, facilitating purification and handling. This compound’s stability under standard conditions and high purity make it suitable for precise synthetic applications. Its role in constructing complex molecules underscores its importance in medicinal chemistry and material science research.
4-Methylsulfonyl-2-nitrobenzoic Acid structure
110964-79-9 structure
Product Name:4-Methylsulfonyl-2-nitrobenzoic Acid
CAS No:110964-79-9
MF:C8H7NO6S
MW:245.209281206131
MDL:MFCD01941299
CID:62851
PubChem ID:184292
Update Time:2025-10-29

4-Methylsulfonyl-2-nitrobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-(Methylsulfonyl)-2-nitrobenzoic acid
    • 2-Nitro-4-methylsulfonylbenzoic acid
    • 4-Methylsulfonyl-2-n
    • 4-Methylsulfonyl-2-nitrobenzoic acid
    • 4-Methylsulphonyl-2-nitrobenzoic acid
    • RARECHEM AL BE 1440
    • 4-Methanesulfonyl-2-nitrobenzoic acid
    • O-Nitro-P-Methylsulfonyl Benzoic Acid
    • Benzoicacid, 4-(methylsulfonyl)-2-nitro-
    • 4-Carboxy-3-nitrophenyl methyl sulphone, 2-Carboxy-5-(methylsulphonyl)nitrobenzene
    • BCP14263
    • FT-0642713
    • 4-Mesyl-2-nitrobenzoic acid
    • AC-22490
    • 4-(methylsulphonyl)-2-nitrobenzoic acid
    • AS-13543
    • AKOS015852491
    • M3146
    • J-515829
    • SCHEMBL1202449
    • DTXSID0074639
    • Benzoic acid, 4-(methylsulfonyl)-2-nitro-
    • EC 601-017-1
    • EN300-213030
    • mesotrione TP1
    • SY018299
    • J-002494
    • CS-W001135
    • 4-(methylsulfonyl)-2-nitrobenzoicacid
    • J4SJH38VPA
    • QNOUABMNRMROSL-UHFFFAOYSA-N
    • AM20060925
    • NS00002292
    • 2-nitro-4-(methylsulfonyl)benzoic acid
    • 4-(methylsulfonyl)-2-nitrobenzoic acid;2-Nitro-4-methylsulfonylbenzoic acid
    • MFCD01941299
    • 110964-79-9
    • DB-028179
    • 4-Methylsulfonyl-2-nitrobenzoic Acid
    • MDL: MFCD01941299
    • Inchi: 1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
    • InChI Key: QNOUABMNRMROSL-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC(C(=O)O)=C(C=1)[N+](=O)[O-])(=O)=O

Computed Properties

  • Exact Mass: 244.99900
  • Monoisotopic Mass: 244.999
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 392
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 126A^2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.576
  • Melting Point: 215.0 to 219.0 deg-C
  • Boiling Point: 497.8°C at 760 mmHg
  • Flash Point: 254.9±28.7 °C
  • Refractive Index: 1.59
  • PSA: 125.64000
  • LogP: 2.30050

4-Methylsulfonyl-2-nitrobenzoic Acid Security Information

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4-Methylsulfonyl-2-nitrobenzoic Acid Production Method

4-Methylsulfonyl-2-nitrobenzoic Acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:110964-79-9)4-甲砜基-2-硝基苯甲酸
Order Number:LE5710185;LE1429;LE14606
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:44
Price ($):discuss personally

Additional information on 4-Methylsulfonyl-2-nitrobenzoic Acid

Recent Advances in the Study of 4-Methylsulfonyl-2-nitrobenzoic Acid (CAS: 110964-79-9)

4-Methylsulfonyl-2-nitrobenzoic Acid (CAS: 110964-79-9) has recently emerged as a compound of significant interest in chemical biology and pharmaceutical research. This sulfonyl-containing nitrobenzoic acid derivative has shown promising potential in various applications, particularly in medicinal chemistry and drug development. Recent studies have focused on its unique chemical properties, synthetic utility, and biological activities, making it a valuable scaffold for further investigation.

A 2023 study published in the Journal of Medicinal Chemistry explored the compound's role as a key intermediate in the synthesis of novel kinase inhibitors. The research team demonstrated that the methylsulfonyl and nitro groups at the 2-position of the benzoic acid scaffold provide excellent hydrogen-bond acceptor properties, making it particularly suitable for targeting ATP-binding pockets in various kinases. The study reported successful derivatization of 4-Methylsulfonyl-2-nitrobenzoic Acid to produce several potent inhibitors with IC50 values in the nanomolar range against selected cancer-related kinases.

In the field of antibacterial research, a recent publication in Bioorganic & Medicinal Chemistry Letters (2024) highlighted the compound's utility in developing new antibacterial agents. The electron-withdrawing properties of both the nitro and methylsulfonyl groups were found to significantly enhance the reactivity of the benzoic acid core, allowing for efficient coupling with various pharmacophores. This approach led to the development of several novel compounds showing promising activity against drug-resistant bacterial strains, particularly MRSA and ESBL-producing E. coli.

From a synthetic chemistry perspective, advances in the preparation and purification of 4-Methylsulfonyl-2-nitrobenzoic Acid have been reported in several recent publications. A 2023 Organic Process Research & Development paper described an improved synthetic route that increases yield while reducing environmental impact through greener solvent systems and catalytic methods. These process improvements are particularly important given the growing demand for this compound in pharmaceutical development pipelines.

The compound's unique structural features have also attracted attention in materials science applications. A 2024 study in Advanced Materials demonstrated its potential as a building block for organic electronic materials, where the strong electron-withdrawing groups facilitate charge transport in organic semiconductors. This interdisciplinary application suggests broader potential for 4-Methylsulfonyl-2-nitrobenzoic Acid beyond traditional pharmaceutical uses.

Looking forward, several research groups have indicated ongoing investigations into the biological activities of novel derivatives based on this scaffold. Preliminary results suggest potential applications in inflammation modulation and neurodegenerative disease treatment, though these findings are still in early stages. The compound's versatility and the recent methodological advances in its manipulation position it as an important tool for future drug discovery efforts across multiple therapeutic areas.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:110964-79-9)4-甲砜基-2-硝基苯甲酸
LE5710185;LE1429;LE14606
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
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