CAS 93951-80-5

2,4,6-Trichlorophen-3,5-d2-ol

Description:

2,4,6-Trichlorophen-3,5-d2-ol, with the CAS number 93951-80-5, is a chlorinated phenolic compound characterized by the presence of three chlorine atoms and deuterium substitution at specific positions on the phenolic ring. This compound typically exhibits a solid state at room temperature and is soluble in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the chlorinated aromatic structure. The presence of chlorine atoms contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The deuterium substitution can be useful in studies involving isotopic labeling, allowing for tracking and analysis in biochemical and environmental research. Additionally, the compound may exhibit biological activity, which could be of interest in pharmacological studies. Safety precautions should be taken when handling this substance, as chlorinated compounds can pose environmental and health risks. Overall, 2,4,6-Trichlorophen-3,5-d2-ol is a significant compound in both synthetic and analytical chemistry contexts.

Formula: C₆HCl₃D₂O

InChI: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/i1D,2D

InChI key: InChIKey=LINPIYWFGCPVIE-QDNHWIQGSA-N

SMILES: OC1=C(Cl)C(=C(Cl)C(=C1Cl)[2H])[2H]

Synonyms:

• Phen-3,5-d2-ol, 2,4,6-trichloro-
• 2,4,6-Trichlorophen-3,5-d2-ol

2,4,6-Trichlorophenol-3,5-d2

CAS: 93951-80-5

Formula: Cl₃C₆D₂OH

Purity: 98 atom % D

Color and Shape: White-Yellow Solid

Molecular weight: 197.9375

Ref: 3U-D2279

2,4,6-Trichlorophen-3,5-d2-ol

Controlled Product

CAS: 93951-80-5

Applications 2,4,6-Trichlorophen-3,5-d2-ol is an impurity in the synthesis of isotope labelled Triclosan which is used as bactericide and preservative for cosmetic and detergent compositions (1). Broadly used as an antiseptic and disinfectant (2). This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA). Environmental contaminants; Food contaminants.

Formula: C₆₂H₂HCl₃O

Color and Shape: White To Off-White

Molecular weight: 199.46

Ref: TR-T774153