Chemical Identity and Physical Properties

5-Bromo-1,1,1-trifluoropentane (SKU B698162) is a five-carbon alkyl halide carrying a bromine atom at the terminal C-5 position and a trifluoromethyl group at the C-1 position. The molecular formula is C₅H₈BrF₃ with a calculated molecular weight of approximately 205.02 g/mol. The compound is a member of the fluorinated alkyl bromide family and is classified within organofluorine chemistry owing to the presence of the CF₃ moiety.

The strong C–F bonds of the trifluoromethyl group confer metabolic stability and lipophilicity to molecules bearing this fragment, a property exploited in medicinal chemistry and agrochemical design. The C–Br bond at the opposite chain terminus provides a readily accessible electrophilic site for nucleophilic displacement, metal-halogen exchange, and related transformations. Specific physical constants such as boiling point, density, and refractive index should be confirmed from the current Aladdin product specification sheet and the Safety Data Sheet (SDS), as these values may vary by lot and purity.

Synthetic Applications and Reactivity

5-Bromo-1,1,1-trifluoropentane functions primarily as an alkylating agent and chain-extension reagent in organic synthesis. The terminal alkyl bromide is an excellent electrophile for S_N2 reactions with a wide range of nucleophiles including amines, thiols, alkoxides, carbanions, and organometallic species (e.g., Grignard reagents after halogen–metal exchange, or in direct cross-coupling protocols).

Key application areas include:

• Medicinal chemistry: Introduction of a CF₃-terminated four-carbon tether to improve metabolic stability, membrane permeability, and binding affinity of drug candidates.
• Material science: Incorporation of fluorinated alkyl chains into polymers or surface-active molecules to modify hydrophobic and oleophobic properties.
• Agrochemistry: Synthesis of fluorinated pesticide or herbicide intermediates where the CF₃ group enhances bioactivity and environmental persistence profile.
• Probe synthesis: Building block for fluorinated probes used in ¹⁹F NMR studies, exploiting the high sensitivity and lack of natural background of fluorine NMR.

Specific literature precedents for this exact compound should be verified in primary sources; reaction conditions cited here are general textbook-level principles for primary alkyl bromides bearing electron-withdrawing fluorinated groups.

Safe Handling, Storage, and Waste Disposal

General hazard profile: As a volatile organobromide containing a trifluoromethyl group, 5-Bromo-1,1,1-trifluoropentane should be treated as a potentially harmful substance until a full review of the SDS (available from Aladdin Scientific) has been completed. Potential hazards associated with this compound class include skin and eye irritation, respiratory irritation upon inhalation of vapours, and environmental hazard to aquatic organisms. Exact GHS classification should be confirmed from the current SDS.

Personal protective equipment (PPE): Use chemical-resistant gloves (nitrile or equivalent), safety goggles, and a laboratory coat. Work in a fume hood when weighing or transferring the material to minimise vapour exposure.

Storage: Store in a tightly sealed container in a cool, dry, well-ventilated area, away from heat sources, open flames, and incompatible materials such as strong bases and reducing metals. Recommended storage temperature should be confirmed from the product specification or SDS.

Waste disposal: Collect waste in clearly labelled, solvent-compatible containers. Dispose of in accordance with local, national, and institutional regulations governing halogenated organic waste. Do not pour down the drain or release to the environment.

Quality, Purity, and Specification Considerations

For sensitive synthetic applications, purity of the starting material is critical. When ordering 5-Bromo-1,1,1-trifluoropentane (B698162) from Aladdin Scientific, researchers should review the Certificate of Analysis (CoA) accompanying each lot. Key quality parameters to examine include:

• Purity (GC): Gas chromatographic purity is the standard assay method for this type of reagent. A purity of ≥95% (GC) is typically sought for synthetic use; confirm the exact specification from the CoA.
• Water content: Residual water may be relevant where the reagent is used in moisture-sensitive reactions; Karl Fischer titration data may be requested from Aladdin Scientific.
• Appearance: Expected to be a clear, colourless to pale-yellow liquid; any significant colour change or turbidity should be considered a potential quality concern.
• Identity confirmation: ¹H NMR, ¹⁹F NMR, and GC-MS are appropriate analytical techniques for identity verification. The ¹⁹F NMR signal of the CF₃ group provides a clean, unambiguous marker for confirmation.

Storage after opening should follow the SDS recommendations; re-sealing under inert gas (nitrogen or argon) blanket is advisable to prevent moisture ingress and slow any potential decomposition.