Description

1-Bromo-2-fluoro-2-methylpropane (CAS No. 19869-78-4) is a high-purity halogenated organic compound with the molecular formula C₄H₈BrF. This specialized chemical is a valuable building block in synthetic organic chemistry, particularly for the introduction of fluorine and bromine substituents in molecular frameworks. The compound features a unique combination of bromine and fluorine atoms on a branched hydrocarbon backbone, offering distinct reactivity patterns for nucleophilic substitutions and other transformations. With a molecular weight of 155.01 g/mol, this liquid reagent is typically supplied with rigorous quality control to ensure consistency in research applications. Its well-defined structure makes it particularly useful for mechanistic studies in fluorination chemistry and for the development of novel fluorinated compounds with potential applications in pharmaceuticals, agrochemicals, and materials science.

Properties

• CAS Number: 19869-78-4
• Complexity: 42.8
• IUPAC Name: 1-bromo-2-fluoro-2-methyl-propane
• InChI: InChI=1S/C4H8BrF/c1-4(2,6)3-5/h3H2,1-2H3
• InChI Key: LJNXHUCQQXLSHS-UHFFFAOYSA-N
• Exact Mass: 153.97934
• Molecular Formula: C4H8BrF
• Molecular Weight: 155.01
• SMILES: CC(C)(CBr)F
• Monoisotopic Mass: 153.97934
• Synonyms: 1-bromo-2-fluoro-2-methylpropane, 19869-78-4, Propane, 1-bromo-2-fluoro-2-methyl-, DTXSID20173624, DTXCID3096115, 807-545-0, MFCD04972692, 1-Bromo-2-fluoro-2-methyl-propane, C4H8BrF, SCHEMBL3915773, BBL103815, STL557625, AKOS006294433, AS-62078, DA-29680, SY027377, CS-0154615, EN300-1896293

Application

1-Bromo-2-fluoro-2-methylpropane serves as a versatile intermediate in organic synthesis, particularly for the preparation of fluorinated analogs of biologically active molecules. Researchers utilize this compound in nucleophilic substitution reactions to study fluorine effects on reaction kinetics and molecular properties. The presence of both bromine and fluorine substituents makes it valuable for developing structure-activity relationships in medicinal chemistry programs. It may also be employed in materials science for the synthesis of fluorinated polymers with specialized properties.

Safety and Hazards

GHS Hazard Statements

• H226 (95%): 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 (95%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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