Description

Bromodifluoroacetyl bromide (CAS No. 1796-12-9) is a highly reactive and versatile organobromine compound with the molecular formula C₂Br₂F₂O. This colorless to pale yellow liquid is widely used in organic synthesis, particularly in the introduction of difluoroacetyl groups into target molecules. Its IUPAC name, 2-bromo-2,2-difluoroacetyl bromide, reflects its bifunctional reactivity as both an acyl bromide and an alkyl bromide. With a molecular weight of 237.83 g/mol, this compound is moisture-sensitive and should be stored under inert conditions to prevent decomposition. Researchers value Bromodifluoroacetyl bromide for its ability to participate in nucleophilic substitutions, Grignard reactions, and as a precursor for fluorinated building blocks in pharmaceuticals and agrochemicals.

Our product is synthesized under strict quality control measures to ensure high purity (>98%) and is available in various packaging options to suit laboratory-scale and bulk requirements. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹⁹F NMR, and GC-MS spectra for verification of identity and purity. Safety data sheets are provided in compliance with global chemical regulations.

Properties

• CAS Number: 1796-12-9
• Complexity: 91.7
• IUPAC Name: 2-bromo-2,2-difluoro-acetyl bromide
• InChI: InChI=1S/C2Br2F2O/c3-1(7)2(4,5)6
• InChI Key: FRTUTWXODRBCOL-UHFFFAOYSA-N
• Exact Mass: 237.82635
• Molecular Formula: C2Br2F2O
• Molecular Weight: 237.83
• SMILES: C(=O)(C(F)(F)Br)Br
• Topological: 17.1
• Monoisotopic Mass: 235.82840
• Synonyms: Bromodifluoroacetyl bromide, 671-810-5, 1796-12-9, 2-bromo-2,2-difluoroacetyl bromide, Bromodifluoroacetylbromide, Acetyl bromide, 2-bromo-2,2-difluoro-, MFCD00153688, Bromo(difluoro)acetyl bromide, C2Br2F2O, SCHEMBL2241749, DTXSID30371235, FRTUTWXODRBCOL-UHFFFAOYSA-N, SBB098866, AKOS005063935, AS-86002, DB-044372

Application

Bromodifluoroacetyl bromide serves as a key reagent in the synthesis of fluorinated organic compounds, particularly in pharmaceutical intermediates where the difluoroacetyl moiety is desired. It is extensively used in nucleophilic substitution reactions to introduce fluorine-containing groups into complex molecules. The compound finds application in materials science for creating fluorinated polymers with enhanced chemical resistance. Researchers also utilize it as a building block for agrochemicals and specialty chemicals requiring precise fluorine substitution patterns.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• Eye Irrit. 2 (33.3%)
• STOT SE 3 (33.3%)

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