CAS 42950-74-3

Benzene-d5-ethan-d4-ol(9CI)

Description:

Benzene-d5-ethan-d4-ol, also known by its CAS number 42950-74-3, is a deuterated alcohol compound that features both benzene and ethanol moieties, with specific isotopic labeling. The "d5" and "d4" indicate that the molecule contains five and four deuterium atoms, respectively, which are stable isotopes of hydrogen. This isotopic substitution enhances the compound's utility in various applications, particularly in NMR spectroscopy, where it aids in the study of molecular structures and dynamics due to the distinct magnetic properties of deuterium compared to protium. The presence of the hydroxyl (-OH) group in the ethan-d4 portion contributes to its classification as an alcohol, influencing its solubility and reactivity. Benzene-d5-ethan-d4-ol is typically used in research settings, particularly in studies involving organic synthesis, analytical chemistry, and isotope labeling techniques. Its unique isotopic composition allows for precise tracking of chemical reactions and interactions in complex systems.

Formula: C₈HD₉O

InChI: InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i1D,2D,3D,4D,5D,6D2,7D2

InChI key: WRMNZCZEMHIOCP-NVLGFDPUSA-N

SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])O)[2H])[2H]

Synonyms:

• 2-Phenyl-d5-ethan-1,1,2,2-d4-ol

2-Phenyl-d5-ethan-1,1,2,2-d4-ol

CAS: 42950-74-3, 60-12-8

Formula: C₆D₅CD₂CD₂OH

Purity: 98 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 131.12966

Ref: 3U-D5480

2-Phenyl-d5-ethan-1,1,2,2-d4-ol

Controlled Product

CAS: 42950-74-3

Applications 2-Phenyl-d5-ethan-1,1,2,2-d4-ol (CAS# 42950-74-3) is a useful isotopically labeled research compound.

Formula: C₈D₉HO

Color and Shape: Neat

Molecular weight: 131.2199

Ref: TR-P296001