Description

1-(3-(Trifluoromethoxy)phenyl)ethanone (CAS No. 170141-63-6) is a high-purity fluorinated aromatic ketone with the molecular formula C₉H₇F₃O₂. This compound is characterized by its trifluoromethoxy (-OCF₃) functional group, which enhances its reactivity and stability in synthetic applications. It is supplied as a clear to pale-yellow liquid or crystalline solid, with a purity of ≥98% (GC), making it ideal for research and industrial use. Suitable for use as a versatile intermediate in organic synthesis, this compound is particularly valuable in pharmaceutical, agrochemical, and material science research. Store in a cool, dry place under inert conditions to ensure long-term stability.

Properties

• CAS Number: 170141-63-6
• Complexity: 213
• IUPAC Name: 1-[3-(trifluoromethoxy)phenyl]ethanone
• InChI: InChI=1S/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3
• InChI Key: UYHTUQHYGKAYJM-UHFFFAOYSA-N
• Exact Mass: 204.03981395
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.15
• SMILES: CC(=O)C1=CC(=CC=C1)OC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 204.03981395
• Synonyms: 1-(3-(trifluoromethoxy)phenyl)ethanone, 1-[3-(trifluoromethoxy)phenyl]ethanone, UYHTUQHYGKAYJM-UHFFFAOYSA-, 642-823-3, inchi=1/c9h7f3o2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5h,1h3, 3′-(Trifluoromethoxy)acetophenone, 170141-63-6, 3-(Trifluoromethoxy)acetophenone, 1-[3-(trifluoromethoxy)phenyl]ethan-1-one, MFCD00042403, 3-trifluoromethoxyacetophenone, 3 inverted exclamation marka-(Trifluoromethoxy)acetophenone, 3/’-(TRIFLUOROMETHOXY)ACETOPHENONE, 1-acetyl-3-(trifluoromethoxy)benzene, 3’trifluoromethoxyacetophenone, SCHEMBL697586, SCHEMBL2095288, DTXSID90353178, 1-(3-Trifluoromethoxyphenyl)ethanone, CK2582, SBB063286, AKOS005145734, AC-3628, CS-W015429, PS-8141, 1-(3-Trifluoromethoxy-phenyl)-ethanone, 3′-(Trifluoromethoxy)acetophenone, 98%, SY001040, 3′-(TRIFLUOROMETHOXY)ACETOPHENONE, ST50306898, T1587, EN300-69569, Z1037570716, 3 inverted exclamation mark -(Trifluoromethoxy)acetophenone

Application

1-(3-(Trifluoromethoxy)phenyl)ethanone is widely used as a key intermediate in the synthesis of pharmaceuticals and agrochemicals due to its trifluoromethoxy group, which imparts unique electronic and steric properties. It is also employed in material science for the development of advanced polymers and liquid crystals. Researchers utilize this compound in cross-coupling reactions and as a precursor for fluorinated heterocycles.

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 (97.7%): 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 (97.7%)

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