Cas no 2905-30-8 (3,4-Dimethylbenzenesulfonyl chloride)

3,4-Dimethylbenzenesulfonyl chloride is a sulfonyl chloride derivative used primarily as a key intermediate in organic synthesis, particularly in the preparation of sulfonamides and sulfonate esters. Its structure, featuring two methyl groups adjacent to the sulfonyl chloride moiety, enhances reactivity and selectivity in electrophilic substitution reactions. This compound is valued for its stability under controlled conditions and its utility in pharmaceutical and agrochemical applications, where precise functionalization is required. It is typically handled under anhydrous conditions due to its sensitivity to moisture. Proper storage and handling are essential to maintain its integrity and reactivity for synthetic applications.
3,4-Dimethylbenzenesulfonyl chloride structure
2905-30-8 structure
Product Name:3,4-Dimethylbenzenesulfonyl chloride
CAS No:2905-30-8
MF:C8H9ClO2S
MW:204.673860311508
MDL:MFCD00625742
CID:84517
PubChem ID:3689743
Update Time:2025-06-08

3,4-Dimethylbenzenesulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 3,4-Dimethylbenzenesulfonyl chloride
    • 3,4-Dimethyl-benzenesulfonyl chloride
    • (3,4-dimethylphenyl)chlorosulfone
    • 3,4-Dimethylbenzene-1-sulfonyl chloride
    • 3,4-Dimethylbenzenesulphonyl chloride
    • 3,4-Dimethylbenzolsulfonylchlorid
    • 3,4-xylene sulphonyl chloride
    • 4,4'-DIMETHYLBIPHENYL
    • 3,4-Xylenesulfonyl chloride
    • 4-(Chlorosulfonyl)-1,2-dimethylbenzene
    • Benzenesulfonyl chloride, 3,4-dimethyl-
    • 3,4-dimethylbenzenesulfonylchloride
    • KSC562M4T
    • DNMQPRPJIWTNAX-UHFFFAOYSA-N
    • STK397400
    • BBL013798
    • SBB018063
    • 3,4-dimethyl benzenesulfonyl chloride
    • 3,4-Dimethyl benzene sulfonyl chloride
    • AM20040109
    • 2905-30-8
    • DTXSID80395082
    • Z56867240
    • SCHEMBL994541
    • AKOS000200609
    • BB 0259281
    • A24458
    • EN300-04519
    • F2169-1106
    • 3,4- Dimethyl-benzenesulfonyl chloride
    • AT24020
    • MFCD00625742
    • FT-0678026
    • 3,4-Dimethylbenzenesulfonyl chloride, AldrichCPR
    • FS-4012
    • DB-068058
    • ALBB-000983
    • MDL: MFCD00625742
    • Inchi: 1S/C8H9ClO2S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3
    • InChI Key: DNMQPRPJIWTNAX-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(C)=C(C)C=1)(=O)=O

Computed Properties

  • Exact Mass: 204.00100
  • Monoisotopic Mass: 204.001
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 242
  • 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: 3.2
  • Topological Polar Surface Area: 42.5

Experimental Properties

  • Color/Form: Not available
  • Density: 1.290
  • Melting Point: 52 oC
  • Boiling Point: 295?°C(lit.)
  • Flash Point: 132.6 ℃
  • Refractive Index: 1.538?
  • Water Partition Coefficient: Reacts with water.
  • PSA: 42.52000
  • LogP: 3.31170
  • Solubility: Not available
  • Sensitiveness: Moisture Sensitive

3,4-Dimethylbenzenesulfonyl chloride Security Information

  • Hazardous Material transportation number:3261
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S24/25
  • HazardClass:8
  • PackingGroup:II
  • Safety Term:8
  • Packing Group:II
  • Risk Phrases:R34

3,4-Dimethylbenzenesulfonyl chloride Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    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%

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3,4-Dimethylbenzenesulfonyl chloride Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:2905-30-8)3,4-Dimethylbenzenesulfonyl chloride
Order Number:A24458
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:17
Price ($):226.0

Additional information on 3,4-Dimethylbenzenesulfonyl chloride

Comprehensive Overview of 3,4-Dimethylbenzenesulfonyl chloride (CAS No. 2905-30-8)

3,4-Dimethylbenzenesulfonyl chloride (CAS No. 2905-30-8) is a specialized organic compound widely utilized in pharmaceutical synthesis, agrochemical production, and advanced material research. Its molecular structure, featuring a sulfonyl chloride group attached to a dimethyl-substituted benzene ring, makes it a versatile intermediate for sulfonamide formation and other nucleophilic substitution reactions. With the growing demand for high-purity chemical intermediates, this compound has garnered significant attention in both academic and industrial circles.

Recent trends in green chemistry and sustainable synthesis have spurred interest in optimizing the production of 3,4-Dimethylbenzenesulfonyl chloride. Researchers are exploring eco-friendly catalysts and solvent-free conditions to minimize environmental impact while maintaining yield efficiency. This aligns with global initiatives like the UN Sustainable Development Goals (SDGs), particularly Goal 12 (Responsible Consumption and Production). Additionally, its role in synthesizing biologically active molecules has made it a focal point for drug discovery projects targeting infectious diseases and metabolic disorders.

The compound’s CAS No. 2905-30-8 is frequently searched in databases such as SciFinder and Reaxys, reflecting its importance in organic synthesis workflows. Common queries include "3,4-Dimethylbenzenesulfonyl chloride solubility," "safety data sheet (SDS)," and "alternative synthetic routes." These searches highlight user concerns about handling precautions, compatibility with other reagents, and cost-effective scalability. Analytical techniques like HPLC and NMR spectroscopy are typically employed to verify its purity, which is critical for applications in high-value chemical manufacturing.

In material science, 3,4-Dimethylbenzenesulfonyl chloride serves as a precursor for polymeric sulfonates used in ion-exchange membranes, a key component in fuel cells and battery technologies. This connection to renewable energy solutions has amplified its relevance amid the global push for carbon-neutral technologies. Furthermore, its derivatives are investigated for surface modification of nanoparticles, enhancing properties like dispersion stability and catalytic activity.

From a regulatory standpoint, proper storage conditions (e.g., moisture-sensitive, under inert atmosphere) and transportation guidelines are often discussed in technical literature. While not classified under restricted categories, adherence to Good Laboratory Practices (GLP) ensures safe handling. The compound’s MSDS (Material Safety Data Sheet) provides detailed protocols for spill management and personal protective equipment (PPE) recommendations, addressing workplace safety concerns.

Innovations in process chemistry have led to improved synthetic methods for 3,4-Dimethylbenzenesulfonyl chloride, such as continuous flow reactors that enhance reproducibility and reduce waste. These advancements cater to the pharmaceutical industry’s demand for Quality by Design (QbD) principles. As patent landscapes evolve, this compound remains integral to proprietary synthesis routes for small-molecule APIs (Active Pharmaceutical Ingredients).

In summary, 3,4-Dimethylbenzenesulfonyl chloride (CAS No. 2905-30-8) exemplifies the intersection of traditional organic chemistry and cutting-edge applications. Its adaptability across sectors—from life sciences to energy storage—underscores its enduring value. Future research directions may focus on biocatalytic derivatization or computational modeling to predict reactivity, further solidifying its role in next-generation chemical innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2905-30-8)3,4-Dimethylbenzenesulfonyl chloride
A24458
Purity:99%
Quantity:25g
Price ($):226.0
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