3'-Fluoro-4'-methoxyacetophenone

CAS: 455-91-4

Ref. 3D-FF64530

Product Information

• Name: 3'-Fluoro-4'-methoxyacetophenone
• Synonyms: 1-(3-Fluoro-4-Methoxyphenyl)Ethanone, 1-(3-Fluoro-4-methoxyphenyl)ethan-1-one, 2-Fluoro-1-Methoxy-4-Nitrobenzene, Acetophenone, 3′-fluoro-4′-methoxy-, Ethanone, 1-(3-fluoro-4-methoxyphenyl)-, NSC 89731

Description

3'-Fluoro-4'-methoxyacetophenone is a chalcone that has been shown to have vibrational frequencies of 3.1, 3.2, and 3.3 cm-1. The conformation of this molecule is in the cis form with a 2,6-diisopropylphenyl group on the cyclohexane ring. This molecule has two functional groups: a hydroxyl and a methoxy group. These molecules are soluble in organic solvents such as benzene and chloroform, but not in water or ethanol due to their high polarity. The crystal structure of this molecule was determined by x-ray diffraction experiments at room temperature and found to be monoclinic with space group C2/c with lattice constants a = 5.853 Å, b = 12.638 Å, c = 6.225 Å and β = 120° ± 10° at 25 °C

• Brand: Biosynth

Chemical properties

• Molecular weight: 168.16 g/mol
• Formula: C₉H₉FO₂
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
• InChI key: InChIKey=LQASUDVYVOFKNK-UHFFFAOYSA-N
• SMILES: COc1ccc(C(C)=O)cc1F