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

General Information
Catalog: BLP-010315
CAS: 93951-81-6
Molecular Formula: C6HD2Cl3O
Molecular Weight: 199.46
Chemical Structure
2,3,6-Trichlorophenol-[4,5-d2]
Synonyms Phen-3,4-d2-ol, 2,5,6-trichloro- (9CI)
IUPAC Name 2,3,6-trichloro-4,5-dideuteriophenol
Related CAS 933-75-5 (unlabelled)
Canonical SMILES C1=CC(=C(C(=C1Cl)O)Cl)Cl
InChI InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H/i1D,2D
InChI Key XGCHAIDDPMFRLJ-QDNHWIQGSA-N
Purity 97% atom D
Appearance White-yellow Solid

2,3,6-Trichlorophenol-[4,5-d2], a renowned deuterium-labeled chemical compound with exceptional properties, finds diverse applications in scientific research. Here are key applications presented with high perplexity and burstiness:

Environmental Monitoring: This compound emerges as a distinctive tracer in environmental studies, enabling the monitoring of chlorophenol breakdown and dispersion within ecosystems. Researchers utilize its deuterium-labeled form to intricately quantify its presence and transformations in soil and water, shedding light on pollution dynamics and the environmental reverberations of chlorophenols.

Analytical Chemistry: At the forefront of mass spectrometry, 2,3,6-Trichlorophenol-[4,5-d2] serves as a pivotal internal standard, amplifying precision and accuracy in quantifying chlorophenols in complex biological and environmental samples. This crucial role plays a vital part in evaluating exposure risks and ensuring regulatory compliance in safety assessments, safeguarding human and environmental well-being.

Pharmacokinetic Studies: In the realm of pharmaceutical exploration, this deuterated compound proves to be an invaluable asset for investigating the metabolism and bioavailability of chlorophenol-based medications. By tracing its metabolic routes, scientists gain invaluable insights into drug pharmacokinetics, enabling optimization of dosing regimes and creation of safer, more efficacious therapeutic agents.

Synthetic Chemistry: Embraced as a foundational material or intermediary in the synthesis of groundbreaking chemicals and pharmaceuticals, this labeled compound provides key insights into reaction mechanisms and pathways in organic synthesis. Its isotopic labeling facilitates the exploration of new synthetic methodologies and enhancement of existing chemical processes, fostering innovation in both research and industry.

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