Cas no 90260-13-2 (3-Fluoro-4-methylbenzene-1-sulfonyl chloride)
3-Fluoro-4-methylbenzene-1-sulfonyl chloride Chemical and Physical Properties
Names and Identifiers
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- 3-Fluoro-4-methylbenzene-1-sulfonyl chloride
- 3-Fluoro-p-toluenesulphonyl chloride
- 3-Fluoro-4-methylbenzenesulfonyl chloride
- 3-Fluoro-4-methylbenzenesulphonyl chloride
- 3-Fluoro-4-methylbenzenesulfonyl chloride (ACI)
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- MDL： MFCD03094389
- Inchi： 1S/C7H6ClFO2S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4H,1H3
- InChI Key： YDUHIMCRFRIVFI-UHFFFAOYSA-N
- SMILES： O=S(C1C=C(F)C(C)=CC=1)(Cl)=O
Computed Properties
- Exact Mass: 207.97600
- Monoisotopic Mass: 207.976
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 247
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.4
- Topological Polar Surface Area: 42.5A^2
Experimental Properties
- Color/Form: White solid
- Density: 1.423
- Melting Point: 46-50?°C (lit.)
- Boiling Point: 258.6°C at 760 mmHg
- Flash Point: Degrees Fahrenheit:230°F
Degrees Celsius:110°C - Refractive Index: 1.528
- PSA: 42.52000
- LogP: 3.14240
- Sensitiveness: Moisture Sensitive
- Solubility: Hydrolyzable
3-Fluoro-4-methylbenzene-1-sulfonyl chloride Security Information
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Symbol:
- Signal Word：Danger
- Hazard Statement： H314
- Warning Statement： P280-P305 + P351 + P338-P310
- Hazardous Material transportation number：UN 3261 8/PG 2
- WGK Germany：3
- Hazard Category Code： 34
- Safety Instruction： S26-S36/37/39-S45
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Hazardous Material Identification：
- HazardClass：8
- PackingGroup：II
- Safety Term：8
- Packing Group：II
- Risk Phrases：R34
3-Fluoro-4-methylbenzene-1-sulfonyl chloride Customs Data
- HS CODE：2904909090
- Customs Data：
China Customs Code:
2904909090Overview:
2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
3-Fluoro-4-methylbenzene-1-sulfonyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | FS662-5g |
3-Fluoro-4-methylbenzene-1-sulfonyl chloride |
90260-13-2 | 98% | 5g |
￥1099.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | FS662-1g |
3-Fluoro-4-methylbenzene-1-sulfonyl chloride |
90260-13-2 | 98% | 1g |
￥329.0 | 2022-09-28 | |
| Fluorochem | 013077-1g |
3-Fluoro-4-methylbenzenesulfonyl chloride |
90260-13-2 | 97% | 1g |
￡10.00 | 2022-03-01 | |
| Fluorochem | 013077-5g |
3-Fluoro-4-methylbenzenesulfonyl chloride |
90260-13-2 | 97% | 5g |
￡15.00 | 2022-03-01 | |
| Apollo Scientific | PC6569-5g |
3-Fluoro-4-methylbenzenesulphonyl chloride |
90260-13-2 | 97% | 5g |
￡55.00 | 2023-09-01 | |
| Apollo Scientific | PC6569-25g |
3-Fluoro-4-methylbenzenesulphonyl chloride |
90260-13-2 | 97% | 25g |
￡200.00 | 2023-09-01 | |
| TRC | F791995-5g |
3-Fluoro-4-methylbenzenesulfonyl Chloride |
90260-13-2 | 5g |
$ 115.00 | 2022-06-02 | ||
| TRC | F791995-250mg |
3-Fluoro-4-methylbenzenesulfonyl chloride |
90260-13-2 | 250mg |
45.00 | 2021-08-12 | ||
| TRC | F791995-500mg |
3-Fluoro-4-methylbenzenesulfonyl Chloride |
90260-13-2 | 500mg |
$64.00 | 2023-05-18 | ||
| TRC | F791995-2.5g |
3-Fluoro-4-methylbenzenesulfonyl Chloride |
90260-13-2 | 2.5g |
$ 70.00 | 2022-06-02 |
3-Fluoro-4-methylbenzene-1-sulfonyl chloride Suppliers
Audited Supplier
3-Fluoro-4-methylbenzene-1-sulfonyl chloride Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
Additional information on 3-Fluoro-4-methylbenzene-1-sulfonyl chloride
3-Fluoro-4-methylbenzene-1-sulfonyl chloride (CAS No. 90260-13-2): An Overview of Its Properties, Applications, and Recent Research
3-Fluoro-4-methylbenzene-1-sulfonyl chloride (CAS No. 90260-13-2) is a versatile organic compound that has gained significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its unique structure, which includes a fluorine atom and a methyl group substituted on a benzene ring, along with a sulfonyl chloride functional group. These structural features endow the compound with a range of chemical properties that make it valuable for various applications.
The molecular formula of 3-fluoro-4-methylbenzene-1-sulfonyl chloride is C8H7ClFO2S, and its molecular weight is approximately 216.65 g/mol. The compound is a white to off-white solid at room temperature and is highly reactive due to the presence of the sulfonyl chloride group. This reactivity makes it an excellent reagent for various synthetic transformations, particularly in the formation of sulfonamides and other sulfur-containing derivatives.
In the context of pharmaceutical research, 3-fluoro-4-methylbenzene-1-sulfonyl chloride has been explored for its potential in drug discovery and development. The sulfonyl chloride group can react with amines to form sulfonamides, which are known for their biological activities, including anti-inflammatory, antimicrobial, and antitumor properties. Recent studies have shown that derivatives of this compound can exhibit potent inhibitory effects on specific enzymes and receptors, making them promising candidates for therapeutic applications.
One notable area of research involves the use of 3-fluoro-4-methylbenzene-1-sulfonyl chloride in the synthesis of sulfonamide-based drugs. Sulfonamides are a class of compounds that have been widely used in medicine for decades due to their broad spectrum of biological activities. For example, a study published in the *Journal of Medicinal Chemistry* in 2022 reported the synthesis and evaluation of a series of sulfonamide derivatives derived from 3-fluoro-4-methylbenzene-1-sulfonyl chloride. These derivatives were found to exhibit significant anti-inflammatory activity and were effective in reducing inflammation in animal models.
Beyond pharmaceutical applications, 3-fluoro-4-methylbenzene-1-sulfonyl chloride has also found use in materials science. The compound can be employed as a building block for the synthesis of functional polymers and coatings. The presence of the fluorine atom and methyl group can influence the physical properties of these materials, such as their hydrophobicity and thermal stability. A recent study published in *Advanced Materials* highlighted the use of this compound in the development of novel coatings with enhanced durability and resistance to environmental factors.
The synthesis of 3-fluoro-4-methylbenzene-1-sulfonyl chloride typically involves several steps. One common approach is to start with 3-fluoro-4-methylbenzenesulfonic acid, which can be converted to the corresponding sulfonyl chloride using thionyl chloride (SOCl2) or phosphorus pentachloride (PCl5). The reaction conditions are carefully controlled to ensure high yields and purity. Recent advancements in green chemistry have led to more environmentally friendly methods for synthesizing this compound, such as using microwave-assisted reactions or catalysts that reduce waste generation.
In terms of safety, while 3-fluoro-4-methylbenzene-1-sulfonyl chloride is not classified as a hazardous material under current regulations, it is important to handle it with care due to its reactivity. Proper personal protective equipment (PPE) should be used when working with this compound to avoid skin contact or inhalation. Additionally, it should be stored in a cool, dry place away from incompatible materials.
The market demand for 3-fluoro-4-methylbenzene-1-sulfonyl chloride has been steadily increasing due to its diverse applications in various industries. Key players in the market include chemical manufacturers and research institutions that focus on developing new products and technologies using this compound. As research continues to uncover new uses and properties, the demand for 3-fluoro-4-methylbenzene-1-sulfonyl chloride is expected to grow further.
In conclusion, 3-fluoro-4-methylbenzene-1-sulfonyl chloride (CAS No. 90260-13-2) is a multifaceted compound with significant potential in pharmaceuticals, materials science, and other fields. Its unique chemical structure and reactivity make it an essential reagent for synthetic transformations and product development. Ongoing research continues to expand our understanding of its properties and applications, ensuring its relevance in both academic and industrial settings.
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