Description

((Chlorodifluoromethyl)sulfonyl)benzene (CAS No. 930836-30-9) is a high-purity organosulfur compound with the molecular formula C₇H₅ClF₂O₂S. This specialized chemical features a chlorodifluoromethylsulfonyl group bonded to a benzene ring, offering unique reactivity for advanced synthetic applications. With a molecular weight of 214.63 g/mol, this compound is supplied as a stable solid or liquid (depending on storage conditions) and should be handled under inert atmosphere due to its moisture-sensitive nature. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research, this reagent is characterized by GC/HPLC purity ≥95% (typical batch purity 97-99%). Proper storage at 2-8°C in amber glass vials is recommended to maintain optimal stability. This product is for research use only and not intended for drug or household use.

Properties

• CAS Number: 930836-30-9
• Complexity: 265
• IUPAC Name: [chloro(difluoro)methyl]sulfonylbenzene
• InChI: InChI=1S/C7H5ClF2O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
• InChI Key: DZKIZVXCLNLUJF-UHFFFAOYSA-N
• Exact Mass: 225.9666846
• Molecular Formula: C7H5ClF2O2S
• Molecular Weight: 226.63
• SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)(F)Cl
• Topological: 42.5
• Monoisotopic Mass: 225.9666846
• Synonyms: ((Chlorodifluoromethyl)sulfonyl)benzene, [(Chlorodifluoromethyl)sulfonyl]benzene, 857-985-2, 930836-30-9, chlorodifluoromethyl phenyl sulfone, [chloro(difluoro)methyl]sulfonylbenzene, MFCD18253567, SCHEMBL18986850, DTXSID80647179, DZKIZVXCLNLUJF-UHFFFAOYSA-N, FMB83630, [Chloro(difluoro)methanesulfonyl]benzene, AS-81952, SY069128, CS-0090040, D74911, EN300-171360

Application

((Chlorodifluoromethyl)sulfonyl)benzene serves as a versatile building block in organic synthesis, particularly for introducing difluoromethylsulfonyl groups into target molecules. Researchers utilize this compound in the development of novel pharmaceuticals where the difluoromethyl moiety can enhance metabolic stability. In materials science, it finds application as a precursor for specialty polymers with unique electronic properties. The compound’s reactivity makes it valuable for creating sulfone-containing analogs in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.