Description
3,5-Dimethylbenzenesulfonyl chloride (CAS 2905-27-3) is a high-purity sulfonyl chloride derivative widely used in organic synthesis and pharmaceutical research. This compound, with the molecular formula C8H9ClO2S, is a versatile reagent known for its role in sulfonylation reactions, enabling the introduction of the sulfonyl functional group into target molecules. Its 3,5-dimethyl substitution pattern enhances steric and electronic properties, making it valuable for selective modifications in complex molecular frameworks. Ideal for researchers and chemists, our product is rigorously tested for purity and consistency, ensuring reliable performance in demanding applications such as drug discovery and material science. Available in various quantities, it is supplied with comprehensive analytical data (including 1H NMR, HPLC, and MS) to meet stringent laboratory standards.
Properties
- CAS Number: 2905-27-3
- Complexity: 232
- IUPAC Name: 3,5-dimethylbenzenesulfonyl chloride
- InChI: InChI=1S/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
- InChI Key: LSAGRAXLOLZVKO-UHFFFAOYSA-N
- Exact Mass: 204.0011784
- Molecular Formula: C8H9ClO2S
- Molecular Weight: 204.67
- SMILES: CC1=CC(=CC(=C1)S(=O)(=O)Cl)C
- Topological: 42.5
- Monoisotopic Mass: 204.0011784
- Synonyms: 3,5-Dimethylbenzenesulfonyl chloride, 2905-27-3, 3,5-dimethylbenzene-1-sulfonyl chloride, DTXSID20371224, DTXCID40322258, 627-462-1, Benzenesulfonyl chloride, 3,5-dimethyl-, 3,5-Dimethylbenzenesulphonyl chloride, MFCD03094655, 3,5-Dimethylbenzene-1-sulfonylchloride, SCHEMBL587103, (3,5-dimethylphenyl)chlorosulfone, LSAGRAXLOLZVKO-UHFFFAOYSA-N, BBL104389, SBB046746, STK502401, 3,5-Dimethyl-benzenesulfonyl chloride, AKOS000117309, AB13340, PS-10896, SY062235, 3,5-Dimethylbenzenesulfonyl chloride, 97%, DB-047511, G78585
Application
3,5-Dimethylbenzenesulfonyl chloride is primarily employed as a sulfonylation agent in organic synthesis, facilitating the preparation of sulfonamides, sulfonate esters, and other sulfonyl-containing compounds. It is particularly useful in pharmaceutical research for modifying bioactive molecules to enhance their physicochemical properties or biological activity. Additionally, this reagent finds applications in polymer chemistry and materials science for creating functionalized polymers with tailored characteristics.
Safety and Hazards
GHS Hazard Statements
- H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statements
- P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Hazard Classes and Categories
- Skin Corr. 1B (100%)
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