CAS 111727-07-2

1-Methoxy-3-(3,3,3-trifluoro-1-propyn-1-yl)benzene

Description:

1-Methoxy-3-(3,3,3-trifluoro-1-propyn-1-yl)benzene, with the CAS number 111727-07-2, is an organic compound characterized by its aromatic structure, which includes a methoxy group (-OCH3) and a trifluoropropynyl substituent. The presence of the trifluoropropynyl group imparts unique properties, such as increased lipophilicity and potential reactivity due to the electron-withdrawing nature of the trifluoromethyl groups. This compound is likely to exhibit moderate volatility and may be soluble in organic solvents while being less soluble in water due to its hydrophobic characteristics. Its structure suggests potential applications in pharmaceuticals or agrochemicals, where fluorinated compounds are often valued for their biological activity and stability. Additionally, the presence of the methoxy group can influence the compound's electronic properties and reactivity, making it a subject of interest in synthetic organic chemistry. Safety and handling precautions should be observed, as with many fluorinated compounds, due to potential toxicity and environmental impact.

Formula: C₁₀H₇F₃O

InChI: InChI=1S/C10H7F3O/c1-14-9-4-2-3-8(7-9)5-6-10(11,12)13/h2-4,7H,1H3

InChI key: InChIKey=PGKZCRLVWUIVNI-UHFFFAOYSA-N

SMILES: C(#CC(F)(F)F)C1=CC(OC)=CC=C1

Synonyms:

• Benzene, 1-methoxy-3-(3,3,3-trifluoro-1-propynyl)-
• Benzene, 1-methoxy-3-(3,3,3-trifluoro-1-propyn-1-yl)-
• 1-(3-Methoxyphenyl)-2-(trifluoromethyl)acetylene
• 1-Methoxy-3-(3,3,3-trifluoro-1-propyn-1-yl)benzene