Description

Bromodifluoromethanesulfonylbenzene (CAS No. 80351-58-2) is a high-purity organosulfur compound with the molecular formula C₇H₅BrF₂O₂S. This specialized chemical, also known by its IUPAC name [bromo(difluoro)methyl]sulfonylbenzene, features a unique sulfonylbenzene backbone functionalized with a bromodifluoromethyl group. The compound is characterized by its exceptional reactivity, making it a valuable intermediate in synthetic organic chemistry. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency in composition and stability. Ideal for research applications requiring precise fluorination or sulfonylation reactions, this product is packaged under inert gas to ensure long-term shelf life and shipped with comprehensive analytical data (NMR, MS, HPLC).

Properties

• CAS Number: 80351-58-2
• Complexity: 265
• IUPAC Name: [bromo(difluoro)methyl]sulfonylbenzene
• InChI: InChI=1S/C7H5BrF2O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H
• InChI Key: VYNTWHUALGNGNU-UHFFFAOYSA-N
• Exact Mass: 269.91617
• Molecular Formula: C7H5BrF2O2S
• Molecular Weight: 271.08
• SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)(F)Br
• Topological: 42.5
• Monoisotopic Mass: 269.91617
• Synonyms: bromodifluoromethanesulfonylbenzene, 80351-58-2, 828-756-4, bromodifluoromethyl phenyl sulfone, ((Bromodifluoromethyl)sulfonyl)benzene, [bromo(difluoro)methyl]sulfonylbenzene, Bromodifluoromethylsulfonylbenzene, [(bromodifluoromethyl)sulfonyl]benzene, [(Bromodifluoromethyl)sulfonyl)benzene, [(Bromodifluoromethyl)sulfonyl]benzene; (Bromodifluoromethanesulfonyl)benzene; Phenylsulfonyldifluoromethyl Bromide;, SCHEMBL5664875, FDA35158, MFCD22628354, AS-76512, SY077445, CS-0134183, E85596, EN300-117287

Application

Bromodifluoromethanesulfonylbenzene serves as a versatile building block in pharmaceutical and agrochemical research, particularly for introducing difluoromethyl and sulfone moieties. It is employed in nucleophilic substitution reactions to create carbon-fluorine bonds in drug discovery programs. The compound also finds use in materials science for modifying polymer properties through sulfonyl group incorporation. Researchers utilize it as a precursor for synthesizing fluorinated analogs of biologically active molecules.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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