Description

1-[4-(Trifluoromethyl)phenyl]propan-1-ol (CAS No. 67081-98-5) is a high-purity fluorinated organic compound with the molecular formula C₁₀H₁₁F₃O. This specialty chemical features a propanol backbone substituted with a trifluoromethylphenyl group, offering unique reactivity and stability due to the electron-withdrawing nature of the trifluoromethyl moiety. It is supplied as a clear, colorless to pale yellow liquid with a characteristic mild odor, suitable for advanced synthetic applications. Ideal for pharmaceutical intermediates, material science research, and agrochemical development, this compound is rigorously tested for purity (typically ≥95% by GC) and consistency. Proper storage under inert atmosphere at 2-8°C is recommended to maintain optimal stability.

Properties

• CAS Number: 67081-98-5
• Complexity: 171
• IUPAC Name: 1-[4-(trifluoromethyl)phenyl]propan-1-ol
• InChI: InChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3
• InChI Key: DSPWVWRWAPFFNC-UHFFFAOYSA-N
• Exact Mass: 204.07619946
• Molecular Formula: C10H11F3O
• Molecular Weight: 204.19
• SMILES: CCC(C1=CC=C(C=C1)C(F)(F)F)O
• Topological: 20.2
• Monoisotopic Mass: 204.07619946
• Synonyms: 67081-98-5, 1-[4-(trifluoromethyl)phenyl]propan-1-ol, 1-(4-(trifluoromethyl)phenyl)propan-1-ol, DTXSID00415655, DTXCID70366504, 642-483-6, MFCD07773046, (-)-(S)-1-propan-1-ol, 1-(4-Trifluoromethylphenyl)-1-propanol, ghl.PD_Mitscher_leg0.490, SCHEMBL478137, SCHEMBL18242636, 4-(1-Hydroxypropyl)benzotrifluoride, SBB068932, AKOS012086417, CS-W015412, 1-(4-Trifluoromethylphenyl)propan-1-ol, 1-(4-trifluoromethyl-phenyl)-propan-1-ol, 1-[4-(Trifluoromethyl)phenyl]-1-propanol, DB-011827, EN300-748796, Y11643, Z1020768490

Application

This compound serves as a versatile building block in medicinal chemistry for the synthesis of trifluoromethyl-containing drug candidates, leveraging its ability to enhance metabolic stability and bioavailability. It is also employed in materials science for developing fluorinated liquid crystals and specialty polymers with tailored dielectric properties. Researchers utilize it as a precursor in catalytic asymmetric synthesis and as a key intermediate in agrochemical formulations targeting pest resistance management.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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