Description

4,4,4-Trifluorobutan-1-ol (CAS No. 461-18-7) is a high-purity fluorinated alcohol with the molecular formula C₄H₇F₃O. This compound, also known by its IUPAC name 4,4,4-trifluorobutan-1-ol, is a versatile intermediate in organic synthesis and pharmaceutical research. Its unique trifluoromethyl group enhances reactivity and stability, making it valuable for applications in medicinal chemistry, agrochemicals, and material science. Available in various quantities, our product is rigorously tested to ensure ≥98% purity (GC), with moisture and impurity levels carefully controlled. Suitable for use in nucleophilic substitutions, cross-coupling reactions, and as a building block for fluorinated polymers. Packaged under inert gas to maintain integrity.

Properties

• CAS Number: 461-18-7
• Complexity: 58.8
• IUPAC Name: 4,4,4-trifluorobutan-1-ol
• InChI: InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
• InChI Key: VKRFUGHXKNNIJO-UHFFFAOYSA-N
• Exact Mass: 128.04489933
• Molecular Formula: C4H7F3O
• Molecular Weight: 128.09
• SMILES: C(CC(F)(F)F)CO
• Topological: 20.2
• Monoisotopic Mass: 128.04489933
• Synonyms: 4,4,4-Trifluoro-1-butanol, 4,4,4-trifluorobutan-1-ol, 610-282-2, 461-18-7, 4,4,4-Trifluorobutanol, 4,4,4-trifluoro-butan-1-ol, 4,4,4-trifluorobutanol-1, 1-BUTANOL, 4,4,4-TRIFLUORO-, MFCD00041483, SCHEMBL79028, SCHEMBL79029, SCHEMBL1515369, SCHEMBL3128022, SCHEMBL6353382, CHEMBL4438811, SCHEMBL28444196, 4,4,4-Trifluoro-1-butanol #, DTXSID40196714, 4,4,4-tris(fluoranyl)butan-1-ol, SBB085707, 4,4,4-Trifluoro-1-butanol, 98%, AKOS000278596, CS-W020393, SB40515, AS-38538, DB-001274, A6485, NS00134713, T2781, EN300-63962, A826992, WIY

Application

4,4,4-Trifluorobutan-1-ol is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its trifluoromethyl group improves metabolic stability and bioavailability in drug candidates. Researchers also employ it in the development of specialty polymers and liquid crystals due to its unique polarity and thermal properties. Additionally, it serves as a solvent or co-solvent in reactions requiring fluorinated media.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.6%): 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (83.3%)
• Skin Irrit. 2 (16.7%)
• Eye Irrit. 2A (95.8%)
• STOT SE 3 (14.6%)

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