4-Fluoromethyl-α-methylbenzyl alcohol

CAS: 403-41-8

Ref. 3D-FF70882

Product Information

• Name: 4-Fluoromethyl-α-methylbenzyl alcohol
• Brand: Biosynth
• Description: 4-Fluoromethyl-alpha-methylbenzyl alcohol is a nonclassical molecule that has been synthesized. This molecule has been modeled computationally and the results indicate that it exhibits a planar geometry with a diastereomeric ratio of 1:1. The theoretical calculations show that the reaction of 4-fluoromethyl-alpha-methylbenzyl alcohol with water is exothermic, which would result in the formation of an intermediate hydroxide ion. Kinetic studies have shown that this molecule can undergo transfer reactions and dehydrogenation reactions, both of which are possible mechanisms for its reactivity.

Chemical properties

• Molecular weight: 140.15 g/mol
• Formula: C₈H₉FO
• Purity: Min. 95%
• InChI: InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
• InChI key: InChIKey=PSDSORRYQPTKSV-UHFFFAOYSA-N
• SMILES: CC(O)c1ccc(F)cc1