Description

4,4,4-Trifluorobut-2-en-1-ol (CAS: 83706-94-9) is a high-purity fluorinated organic compound with the molecular formula C₄H₅F₃O. This versatile intermediate is widely used in pharmaceutical synthesis, agrochemical development, and advanced material research due to its unique trifluoromethyl functionality and reactive hydroxyl group. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed ampules or custom bulk packaging under inert atmosphere to guarantee stability. The compound’s E-configuration (trans-formation) provides exceptional stereochemical control for precision applications. Ideal for nucleophilic substitutions, cross-coupling reactions, and as a building block for fluorinated analogs of bioactive molecules. Technical specifications include: molecular weight 126.08 g/mol, boiling point 120-122°C, density 1.27 g/cm³, and refractive index n_D²⁰ 1.375-1.385. Hazard classification: Flammable Liquid Category 3, Skin Irritant Category 2.

Properties

• CAS Number: 83706-94-9
• Complexity: 83.8
• IUPAC Name: (E)-4,4,4-trifluorobut-2-en-1-ol
• InChI: InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2/b2-1+
• InChI Key: UUTWQLLIVDODPQ-OWOJBTEDSA-N
• Exact Mass: 126.02924926
• Molecular Formula: C4H5F3O
• Molecular Weight: 126.08
• SMILES: C(/C=C/C(F)(F)F)O
• Topological: 20.2
• Monoisotopic Mass: 126.02924926
• Synonyms: 4,4,4-trifluorobut-2-en-1-ol, 674-53-3, (E)-4,4,4-trifluorobut-2-en-1-ol, 83706-94-9, 1-trifluoromethylprop-1-en-3-ol, trans-4,4,4-Trifluoro-2-buten-1-ol, (2E)-4,4,4-trifluorobut-2-en-1-ol, 2-Buten-1-ol, 4,4,4-trifluoro-, (E)-, 4,4,4-Trifluorocrotyl alcohol, MFCD00077603, SCHEMBL2317872, SCHEMBL2494480, UUTWQLLIVDODPQ-OWOJBTEDSA-N, SBB085626, AKOS005258096, AKOS025309999, FS-4524, trans-4,4,4-Trifluoro-but-2-en-1-ol, D72794, EN300-205270, G79747

This fluorinated alcohol serves as a key intermediate in the synthesis of prostaglandin analogs and other trifluoromethyl-containing pharmaceuticals. Researchers utilize its reactive sites for constructing fluorine-rich scaffolds in medicinal chemistry programs. The compound finds particular utility in palladium-catalyzed coupling reactions to create novel fluorinated materials with enhanced electronic properties. Industrial applications include development of specialty surfactants and performance chemicals where fluorine substitution imparts unique surface activity.

Safety and Hazards

GHS Hazard Statements

• H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (25%)
• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Corr. 1B (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (25%)

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