2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane-d8 (Major)

• CAT Number: R054931
• CAS Number: 1794780-53-2
• Molecular Formula: C14H11Cl3O2
• Molecular Weight: 325.639
• Purity: ≥95%
• Synonyms: 4,4’-(2,2,2-Trichloroethylidene)diphenol-d8; 4,4’-Dihydroxydiphenyltrichloroethane-d8; 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane-d8; Bisdemethylmethoxychlor-d8; HPTE-d8; 1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane-d8; Hydroxychlor-d8; NSC 704
• Storage: Store at RT
• IUPAC Name: 2,3,5,6-tetradeuterio-4-[2,2,2-trichloro-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]phenol
• InChI: InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H/i1D,2D,3D,4D,5D,6D,7D,8D
• InChIKey: IUGDILGOLSSKNE-PGRXLJNUSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1C(C2=C(C(=C(C(=C2[2H])[2H])O)[2H])[2H])C(Cl)(Cl)Cl)[2H])[2H])O)[2H]

2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane-d8 is a deuterated form of the compound known as bisphenol C, where eight hydrogen atoms are replaced with deuterium. This isotopically labeled compound is used in environmental, toxicological, and biochemical research to study the behavior, metabolism, and environmental impact of bisphenol compounds, which are widely used in the production of plastics and have been associated with endocrine-disrupting effects. The deuterium labeling in 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane-d8 allows for precise tracking in analytical techniques such as mass spectrometry, providing enhanced accuracy in monitoring the compound’s presence and transformation in biological and environmental systems.