Description

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol (CAS No. 368-63-8) is a high-purity fluorinated aromatic alcohol with the molecular formula C₁₀H₈F₆O. This compound features a phenyl ring substituted with two trifluoromethyl groups at the 3 and 5 positions, along with an ethanol moiety at the 1 position, offering unique steric and electronic properties. Ideal for advanced organic synthesis, pharmaceutical intermediates, and material science applications, this reagent is rigorously tested for quality, ensuring ≥95% purity (GC). Packaged under inert gas to maintain stability, it is available in quantities ranging from grams to kilograms to meet both research and industrial-scale demands. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 368-63-8
• Complexity: 237
• IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethanol
• InChI: InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3
• InChI Key: MMSCIQKQJVBPIR-UHFFFAOYSA-N
• Exact Mass: 258.04793385
• Molecular Formula: C10H8F6O
• Molecular Weight: 258.16
• SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
• Topological: 20.2
• Monoisotopic Mass: 258.04793385
• Synonyms: 368-63-8, 1-(3,5-bis(trifluoromethyl)phenyl)ethanol, 1-[3,5-bis(trifluoromethyl)phenyl]ethanol, UNII-03H8X9K3I3, 03H8X9K3I3, Benzenemethanol, alpha-methyl-3,5-bis(trifluoromethyl)-, BENZENEMETHANOL, .ALPHA.-METHYL-3,5-BIS(TRIFLUOROMETHYL)-, 3,5-BTPE, 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol, 3,5-Bis(trifluoromethyl)phenyl ethanol, ALPHA-METHYL-3,5-BIS(TRIFLUOROMETHYL)BENZYL ALCOHOL, C10H8F6O, MFCD01632521, (R)-1-(3,5-Bis-trifluoromethylphenyl)ethanol, 1-(3,5-Bis-trifluoromethylphenyl)ethanol, SCHEMBL435108, SCHEMBL15917914, DTXSID00869755, SBB063570, AKOS005063832, AB88343, AB88969, AC-9758, CS-W012543, DA-06383, PS-11113, SY019132, SY033345, DB-018097, EN300-76197, (S)-1-(3,5-Bis-trifluoromethylphenyl)ethanol, 1-(3,5-bis(trifiuoromethyl)phenyl)-1-hydroxyethane, Q27247561, Z844463460, (+/-)-1-(3,5-bis(trifluoromethy)-phenyl)-1-hydroxyethane, (+/-)-1-(3,5-Bis(trifluoromethy)phenyl)-1-hydroxyethane, (+/-)-1-(3,5-Bis(trifluoromethyl)phenyl)-1-hydroxyethane

Application

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol serves as a versatile building block in medicinal chemistry for the synthesis of bioactive molecules, particularly those targeting CNS disorders. Its electron-withdrawing trifluoromethyl groups enhance binding affinity in receptor-ligand interactions, making it valuable for drug discovery. The compound is also employed in catalysis and as a chiral auxiliary in asymmetric synthesis. Researchers utilize it to develop advanced materials, such as liquid crystals and polymers, due to its thermal stability and unique polarity.

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. 2A (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.