Description

5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol (CAS No. 222026-50-8) is a high-purity fluorinated organic compound with the molecular formula C₅H₇BrClF₃O. This halogenated alcohol is characterized by its unique trifluorinated structure, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is supplied as a clear to pale-yellow liquid with a purity of ≥95% (GC), ensuring consistency for advanced applications. Its reactive bromo and chloro substituents, combined with the electron-withdrawing trifluoromethyl group, enable selective transformations in nucleophilic substitutions and cross-coupling reactions. Ideal for use in medicinal chemistry, agrochemical development, and material science, this product is packaged under inert gas to maintain stability and stored at 2-8°C to prolong shelf life. Available in quantities from 100mg to 10kg, with custom synthesis options upon request.

Properties

• CAS Number: 222026-50-8
• Complexity: 135
• IUPAC Name: 5-bromo-4-chloro-4,5,5-trifluoro-pentan-1-ol
• InChI: InChI=1S/C5H7BrClF3O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2
• InChI Key: YTPPNYJNPZSDFJ-UHFFFAOYSA-N
• Exact Mass: 253.93209
• Molecular Formula: C5H7BrClF3O
• Molecular Weight: 255.46
• SMILES: C(CC(C(F)(F)Br)(F)Cl)CO
• Topological: 20.2
• Monoisotopic Mass: 253.93209
• Synonyms: 5-bromo-4-chloro-4,5,5-trifluoropentan-1-ol, 222026-50-8, DTXSID20371229, DTXCID90322263, 5-bromo-4-chloro-4,5,5-trifluoro-1-pentanol, 1-Pentanol,5-bromo-4-chloro-4,5,5-trifluoro-, MFCD00153681, SBB101624, AKOS016015250, DB-045840, ST51041749

Application

5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol serves as a versatile building block in the synthesis of fluorinated pharmaceuticals, particularly in the development of protease inhibitors and antiviral agents. Its trifluoromethyl group enhances metabolic stability and bioavailability in drug candidates. Researchers also utilize this compound in agrochemical formulations to create herbicidal and pesticidal derivatives with improved environmental persistence. In material science, it acts as a precursor for fluorinated polymers and surfactants, leveraging its halogenated structure for tailored hydrophobicity.

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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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.