Description

4-Bromo-1,1,1-trifluorobutane (CAS No. 406-81-5) is a high-purity halogenated organic compound with the molecular formula C₄H₆BrF₃. This colorless to pale yellow liquid is characterized by its trifluoromethyl group and bromine substitution, making it a versatile intermediate in synthetic organic chemistry and materials science. With a molecular weight of 178.99 g/mol, it is commonly employed in nucleophilic substitution reactions, fluorination processes, and as a building block for pharmaceuticals, agrochemicals, and specialty polymers. Our product is rigorously tested for purity (typically ≥97% by GC) and is supplied in sealed, light-resistant containers to ensure stability. Ideal for researchers in organofluorine chemistry, this compound offers excellent reactivity for C-C bond formation and functional group transformations under controlled conditions.

Properties

• CAS Number: 406-81-5
• Complexity: 58.8
• IUPAC Name: 4-bromo-1,1,1-trifluoro-butane
• InChI: InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2
• InChI Key: DBCAQXHNJOFNGC-UHFFFAOYSA-N
• Exact Mass: 189.96050
• Molecular Formula: C4H6BrF3
• Molecular Weight: 190.99
• SMILES: C(CC(F)(F)F)CBr
• Monoisotopic Mass: 189.96050
• Synonyms: 406-81-5, 4-Bromo-1,1,1-trifluorobutane, DTXSID50334529, DTXCID60285619, 670-279-7, 1-Bromo-4,4,4-trifluorobutane, 4,4,4-Trifluoro-1-bromobutane, MFCD00066335, 4,4,4-Trifluorobutyl bromide, 4,4,4-trifluorobutylbromide, SCHEMBL189853, SCHEMBL5598269, SCHEMBL21381342, SCHEMBL28417408, 1,1,1-trifluoro-4-bromobutane, 1-bromo 4,4,4-trifluoro butane, 4-bromo-1,1,1-trifluoro-butane, 4-Bromo-1,1,1-trifluorobutane #, SBB091214, AKOS006229561, CS-W013227, FB76285, FS-4710, 4-bromanyl-1,1,1-tris(fluoranyl)butane, SY106498, DB-008051, 4-Bromo-1,1,1-trifluorobutane, AldrichCPR, D93166, EN300-117632, A825232

Application

4-Bromo-1,1,1-trifluorobutane serves as a key precursor in the synthesis of fluorinated pharmaceuticals and liquid crystal materials. Its reactive bromine terminus enables cross-coupling reactions (e.g., Suzuki, Heck) to introduce trifluorobutyl motifs into target molecules. The compound is also utilized in polymer chemistry to modify surface properties and create hydrophobic coatings. Researchers value its utility in developing PET radiotracers due to the favorable pharmacokinetics imparted by the trifluoromethyl group.

Safety and Hazards

GHS Hazard Statements

• H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]
• 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

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (25%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.