Description

Fluoromethyl Phenyl Sulfone (CAS No. 20808-12-2) is a high-purity organosulfur compound with the molecular formula C₇H₇FO₂S and the IUPAC name fluoromethylsulfonylbenzene. This specialty chemical is characterized by its unique sulfone functional group, where a fluoromethyl moiety is bonded to a phenyl ring via a sulfonyl bridge. The compound is supplied as a white to off-white crystalline solid with a typical purity of ≥98% (GC), making it suitable for advanced synthetic applications. Its molecular weight of 174.19 g/mol and well-defined structure make it a valuable intermediate in pharmaceutical, agrochemical, and materials science research. The product is packaged under inert atmosphere to ensure stability and is available in quantities ranging from gram to kilogram scale to meet both laboratory and pilot plant requirements.

Key Features:

• High chemical purity (≥98%) verified by GC analysis
• Stable under recommended storage conditions (2-8°C, inert atmosphere)
• Versatile synthetic building block for nucleophilic substitution reactions
• Compatible with various organic transformations including cross-coupling reactions
• Detailed technical data sheet with spectral data (1H NMR, 13C NMR, IR, MS) available upon request

Properties

• CAS Number: 20808-12-2
• Complexity: 199
• IUPAC Name: fluoromethylsulfonylbenzene
• InChI: InChI=1S/C7H7FO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
• InChI Key: DENHPZASLKBBHA-UHFFFAOYSA-N
• Exact Mass: 174.01507880
• Molecular Formula: C7H7FO2S
• Molecular Weight: 174.19
• SMILES: C1=CC=C(C=C1)S(=O)(=O)CF
• Topological: 42.5
• Monoisotopic Mass: 174.01507880
• Synonyms: Fluoromethyl Phenyl Sulfone, 20808-12-2, DTXSID40374616, DTXCID20325646, 670-968-2, Fluoromethylsulfonylbenzene, ((Fluoromethyl)sulfonyl)benzene, Benzene, [(fluoromethyl)sulfonyl]-, fluoromethanesulfonylbenzene, MFCD00191650, (fluoromethylsulfonyl)benzene, fluoromethylphenylsulfone, fluoromethanesulfonyl-benzene, fluoromethyl-phenyl sulfone, phenylsulfonylmethylflouride, fluoranylmethylsulfonylbenzene, SCHEMBL491319, SCHEMBL3690026, AKOS005063879, AS-61794, SY018862, DB-014813, CS-0038264, F0341, W10728, A814928

Application

Fluoromethyl Phenyl Sulfone serves as a versatile reagent in organic synthesis, particularly in the preparation of biologically active molecules through nucleophilic aromatic substitution reactions. The compound finds application in pharmaceutical research as a precursor for the synthesis of sulfonamide derivatives and other sulfur-containing therapeutic agents. In materials science, it is employed as a building block for advanced polymers with enhanced thermal and chemical resistance. The presence of both fluoromethyl and sulfone groups makes it valuable for developing agrochemicals with improved bioavailability and environmental stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

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