Description

(Bromodifluoromethyl)triphenylphosphonium bromide (CAS No. 58201-66-4) is a highly specialized organophosphorus compound with the molecular formula C₁₉H₁₅Br₂F₂P. This crystalline solid is widely utilized as a key reagent in organic synthesis, particularly in nucleophilic difluoromethylation reactions. Its IUPAC name, [bromo(difluoro)methyl]-triphenylphosphanium;bromide, reflects its unique structure, which combines a bromodifluoromethyl group with a triphenylphosphonium moiety. The compound is known for its stability and reactivity, making it a valuable building block for introducing difluoromethyl groups into complex molecules. It is supplied with high purity (>98%) and is stored under inert conditions to ensure optimal performance. Suitable for use in pharmaceutical research, agrochemical development, and materials science, this reagent is handled exclusively by trained professionals in well-equipped laboratories.

Properties

• CAS Number: 58201-66-4
• Complexity: 324
• IUPAC Name: [bromo(difluoro)methyl]-triphenyl-phosphonium;bromide
• InChI: InChI=1S/C19H15BrF2P.BrH/c20-19(21,22)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
• InChI Key: LLFPAYWKPAHZHA-UHFFFAOYSA-M
• Exact Mass: 471.92257
• Molecular Formula: C19H15Br2F2P
• Molecular Weight: 472.1
• SMILES: C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(F)(F)Br.[Br-]
• Monoisotopic Mass: 469.92462
• Synonyms: (Bromodifluoromethyl)triphenylphosphonium bromide, 633-453-3, 58201-66-4, MFCD00191843, [bromo(difluoro)methyl]-triphenylphosphanium;bromide, [bromo(difluoro)methyl]-triphenylphosphonium bromide, SCHEMBL7610473, DTXSID20369909, AC6400, GEO-02429, AKOS025310348, SY251657, DB-018035, CS-0206701, (Bromodifluormethyl) triphenylphosphonium bromide, (BROMODIFLUOROMETHYL)TRIPHENYLPHOSPHONIUMBROMIDE, [Bromo(difluoro)methyl](triphenyl)phosphanium bromide

Application

(Bromodifluoromethyl)triphenylphosphonium bromide is primarily employed as a versatile reagent for nucleophilic difluoromethylation in organic synthesis. It facilitates the introduction of difluoromethyl groups into carbonyl compounds, heterocycles, and other electrophilic substrates. The compound is particularly valuable in medicinal chemistry for the synthesis of fluorinated analogs of bioactive molecules. Its applications extend to the preparation of fluorinated polymers and specialty materials with enhanced properties.

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. 2 (100%)
• STOT SE 3 (100%)

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