Cas no 53250-83-2 (2-chloro-4-methanesulfonylbenzoic acid)
2-chloro-4-methanesulfonylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-4-(methylsulfonyl)benzoic acid
- 2-Chloro-4-methylsulphonylbenzoic acid
- 2-Chloro-4-(Methylsulfonyl)Benzoic Acid (Dry Basis)
- 2-Chloro-4-methylsulfonylbenzoic acid
- 2-chloro-4-methanesulfonylbenzoic acid
- Benzoic acid, 2-chloro-4-(methylsulfonyl)-
- 2-Chloro-4-MethanesulfonYl-Benzoic Acid
- Maybridge1_004133
- PubChem20281
- 2-chloro-4-(methylsulphonyl)benzoic acid
- Oprea1_032467
- 2-ch
- 2-Chloro-4-methylsulphonylbenzoicacid
- CS-W020000
- CCG-56383
- A829475
- 2-Chloro-4-(methylsulfonyl)benzoicacid
- PB10137
- FT-0611738
- 2-Chloro-4-(methylsulfonyl)benzoic acid, AldrichCPR
- BP-12859
- NS00003434
- EC 406-520-8
- EN300-1228927
- AC-12552
- DTXSID10201364
- 2-chloro-4-(methylsulfonyl)benzenecarboxylic acid
- 2-chloro-4-methanesulphonylbenzoic acid
- 2-chloro-4-methanesulfonyl benzoic acid
- F0001-1374
- 2-chloro-4-methylsulfonyl benzoic acid
- AKOS015850034
- SCHEMBL403618
- ICIA0051-CMBA
- 2-chloro-4-methylsulphonyl benzoic acid
- 2-chloro-4-methylsulfonyl-benzoic acid
- 53250-83-2
- SY006742
- 2-Chloro-4-(methanesulfonyl)benzoic acid
- PS-3128
- AM20061184
- MFCD00216496
- 2-chloro-4-(methylsulfonyl)-benzoic acid
- C2726
- SR-01000645344-1
- CTTWSFIIFMWHLQ-UHFFFAOYSA-N
- HMS553D21
- DB-020796
- DTXCID10123855
- 2-Chloro-4-methyl sulfonylbenzoic acid
-
- MDL: MFCD00216496
- Inchi: 1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
- InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=O)O)C=CC(=C1)S(C)(=O)=O
Computed Properties
- Exact Mass: 233.97500
- Monoisotopic Mass: 233.975
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 319
- 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: 1.4
- Topological Polar Surface Area: 79.8
- Surface Charge: 0
- Tautomer Count: nothing
Experimental Properties
- Color/Form: powder
- Density: 1.4452 (estimate)
- Melting Point: 194.0 to 198.0 deg-C
- Boiling Point: 454.8±45.0 °C at 760 mmHg
- Flash Point: 228.8℃
- Refractive Index: 1.572
- PSA: 79.82000
- LogP: 2.52250
- Solubility: Not determined
- Vapor Pressure: 0.0±1.2 mmHg at 25°C
2-chloro-4-methanesulfonylbenzoic acid Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Warning
- Hazard Statement: H318
- Warning Statement: P280-P305+P351+P338+P310
- Hazard Category Code: R36/37/38;R41
- Safety Instruction: S36/37/39-S26-S22-S39
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Hazardous Material Identification:
- Storage Condition:Sealed in dry,Room Temperature
- Risk Phrases:R36/37/38; R41
- Safety Term:S22;S26;S36/37/39
2-chloro-4-methanesulfonylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 023358-1g |
2-Chloro-4-(methylsulfonyl)benzoic acid |
53250-83-2 | 97% | 1g |
£10.00 | 2022-02-28 | |
| Fluorochem | 023358-10g |
2-Chloro-4-(methylsulfonyl)benzoic acid |
53250-83-2 | 97% | 10g |
£10.00 | 2022-02-28 | |
| Fluorochem | 023358-25g |
2-Chloro-4-(methylsulfonyl)benzoic acid |
53250-83-2 | 97% | 25g |
£14.00 | 2022-02-28 | |
| Fluorochem | 023358-250g |
2-Chloro-4-(methylsulfonyl)benzoic acid |
53250-83-2 | 97% | 250g |
£50.00 | 2022-02-28 | |
| Fluorochem | 023358-500g |
2-Chloro-4-(methylsulfonyl)benzoic acid |
53250-83-2 | 97% | 500g |
£88.00 | 2022-02-28 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0686719543- 25g |
2-chloro-4-methanesulfonylbenzoic acid |
53250-83-2 | 97%(HPLC) | 25g |
¥ 258.8 | 2021-05-18 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153824-100g |
2-chloro-4-methanesulfonylbenzoic acid |
53250-83-2 | ≥98.0% | 100g |
¥125.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153824-1g |
2-chloro-4-methanesulfonylbenzoic acid |
53250-83-2 | ≥98.0% | 1g |
¥29.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153824-25G |
2-chloro-4-methanesulfonylbenzoic acid |
53250-83-2 | ≥98.0% | 25g |
¥39.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153824-500g |
2-chloro-4-methanesulfonylbenzoic acid |
53250-83-2 | ≥98.0% | 500g |
¥500.90 | 2023-09-03 |
2-chloro-4-methanesulfonylbenzoic acid Suppliers
2-chloro-4-methanesulfonylbenzoic acid Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
Additional information on 2-chloro-4-methanesulfonylbenzoic acid
2-Chloro-4-methanesulfonylbenzoic Acid (CAS No. 53250-83-2): Properties, Applications, and Market Insights
2-Chloro-4-methanesulfonylbenzoic acid (CAS No. 53250-83-2) is a specialized organic compound with a wide range of applications in pharmaceuticals, agrochemicals, and material science. This sulfonylbenzoic acid derivative is gaining attention due to its unique chemical properties and versatility in synthesis. In this article, we explore its molecular structure, physicochemical properties, and emerging uses in research and industry.
The chemical formula of 2-chloro-4-methanesulfonylbenzoic acid is C8H7ClO4S, with a molecular weight of 234.66 g/mol. Its structure features a benzoic acid core substituted with a chloro group at the 2-position and a methanesulfonyl group at the 4-position. This arrangement contributes to its moderate acidity (pKa ≈ 3.5) and good solubility in polar organic solvents like dimethyl sulfoxide (DMSO) and methanol.
Recent studies highlight the compound's role as a key intermediate in drug synthesis. Pharmaceutical researchers are particularly interested in its potential for developing non-steroidal anti-inflammatory drugs (NSAIDs) and enzyme inhibitors. The methanesulfonyl group enhances binding affinity to biological targets, while the chloro substituent improves metabolic stability—a combination that answers the growing demand for longer-acting pharmaceutical agents.
In material science, 2-chloro-4-methanesulfonylbenzoic acid serves as a building block for advanced polymers and liquid crystal materials. Its ability to form hydrogen bonds and participate in supramolecular chemistry makes it valuable for creating self-assembling materials—a hot topic in nanotechnology research. The compound's thermal stability (decomposition temperature >200°C) further supports applications in high-performance materials.
The agrochemical industry utilizes this compound in developing next-generation herbicides and plant growth regulators. Its sulfonyl group mimics natural plant signaling molecules, enabling the design of more eco-friendly crop protection solutions. This aligns with current trends toward sustainable agriculture and reduced environmental impact—topics frequently searched by professionals in the field.
From a commercial perspective, the global market for 2-chloro-4-methanesulfonylbenzoic acid is experiencing steady growth (CAGR ~5.8%). Major manufacturers are expanding production capacity to meet rising demand from pharmaceutical companies in Asia-Pacific regions. Quality standards typically require ≥98% purity, with HPLC being the preferred analytical method for quality control.
Storage and handling recommendations for CAS 53250-83-2 include keeping the compound in airtight containers at room temperature, protected from moisture. While stable under normal conditions, it should be handled with standard laboratory precautions—wearing gloves and eye protection. The compound's safety data sheet (SDS) provides complete handling guidelines.
Recent patent filings reveal innovative applications of 2-chloro-4-methanesulfonylbenzoic acid derivatives in organic electronics and energy storage systems. Researchers are exploring its use in organic photovoltaic cells and battery electrolytes—areas receiving significant investment due to the global push for renewable energy solutions.
Analytical characterization of this compound typically involves NMR spectroscopy (1H and 13C), mass spectrometry, and infrared spectroscopy. The chloro-substituted aromatic proton appears around δ 7.9 ppm in 1H NMR, while the sulfonyl group shows characteristic stretching vibrations at 1150-1350 cm?1 in IR spectra—key identification markers for quality assurance purposes.
Environmental considerations for 2-chloro-4-methanesulfonylbenzoic acid include its biodegradability profile and ecotoxicological data. While not classified as highly toxic, proper waste disposal methods should be followed according to local regulations. The compound's environmental fate is an active research area, particularly regarding its breakdown products in soil and water systems.
Future research directions for CAS 53250-83-2 include exploring its potential in metal-organic frameworks (MOFs) and as a ligand in catalysis. The compound's ability to coordinate with metal ions while maintaining thermal stability makes it promising for heterogeneous catalysis applications—a field experiencing rapid growth due to industrial demands for greener chemical processes.
For researchers sourcing 2-chloro-4-methanesulfonylbenzoic acid, important specifications to verify include melting point (typically 158-162°C), water content (≤0.5%), and heavy metal impurities (≤10 ppm). Reputable suppliers provide comprehensive certificates of analysis and stability data to support various applications.
The synthesis of 2-chloro-4-methanesulfonylbenzoic acid typically involves electrophilic aromatic substitution followed by oxidation steps. Recent process improvements focus on green chemistry principles, such as using catalytic methods and environmentally benign solvents—responding to industry demands for sustainable manufacturing practices.
In conclusion, 2-chloro-4-methanesulfonylbenzoic acid (CAS No. 53250-83-2) represents a versatile chemical building block with expanding applications across multiple industries. Its unique combination of chemical functionality and structural features continues to inspire innovation in drug discovery, advanced materials, and sustainable technologies. As research progresses, we anticipate new uses emerging for this valuable compound.
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