4-[2,2,2-Trifluoro-1-[4-(phenylmethoxy)phenyl]-1-(trifluoromethyl)ethyl]-phenol

CAS: 685561-26-6

Ref. TR-T792770

Product Information

• Name: 4-[2,2,2-Trifluoro-1-[4-(phenylmethoxy)phenyl]-1-(trifluoromethyl)ethyl]-phenol
• Synonyms: 4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenol
• Brand: TRC
• Description: Applications 4-[2,2,2-Trifluoro-1-[4-(phenylmethoxy)phenyl]-1-(trifluoromethyl)ethyl]-phenol is an intermediate used in the synthesis of 4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bisphenol Mono-β-D-glucuronide (T792735), which is a metabolite of 2,2-Bis-(4-hydroxyphenyl)hexafluoropropane (B447290), which acts as an endocrine-disrupting chemical (EDC), activating estrogen through the estrogen receptor ERα. It is a full agonist for the estrogen receptor.References Matsushima, A. et al.: Environ. Health, Perspect. 118, 1267 (2010)

Chemical properties

• Molecular weight: 426.35
• Formula: C₂₂H₁₆F₆O₂
• Color/Form: Neat
• InChI: InChI=1S/C22H16F6O2/c23-21(24,25)20(22(26,27)28,16-6-10-18(29)11-7-16)17-8-12-19(13-9-17)30-14-15-4-2-1-3-5-15/h1-13,29H,14H2
• InChI key: InChIKey=OACWHDJECWSOIF-UHFFFAOYSA-N
• SMILES: Oc1ccc(C(c2ccc(OCc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1