2,4-Dichlorophenol-3,5,6-d₃ - ≥98 atom% D,≥98% , CAS No.93951-74-7

CAS: 93951-74-7 Cat. No.: D472060 Summenformel: C₆D₃HCl₂O Molekulargewicht: 166.02 EG-Nummer: 685-990-8

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

2,4-Dichlorophenol-3,5,6-d3 | 2,4-Dichlorophenol-d3, analytical standard | 2,4-DICHLOROPHENOL-RING-D3 | 2,4-DICHLOROPHENOL (RING-D3) | 2,4-Dichlorophenol-3,5,6-d3, 98 atom % D | d3-2,4-dichlorophenol | Phen-2,3,5-d3-ol, 4,6-dichloro- (9CI); 2,4-Dichloroph

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

2,4-Dichlorophenol-3,5,6-d3 | 2,4-Dichlorophenol-d3, analytical standard | 2,4-DICHLOROPHENOL-RING-D3 | 2,4-DICHLOROPHENOL (RING-D3) | 2,4-Dichlorophenol-3,5,6-d3, 98 atom % D | d3-2,4-dichlorophenol | Phen-2,3,5-d3-ol, 4,6-dichloro- (9CI); 2,4-Dichloroph

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Pubchem Sid: 504768199
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768199
• Kanonisches Lächeln: C1=CC(=C(C=C1Cl)Cl)O
• IUPAC Name: 2,4-dichloro-3,5,6-trideuteriophenol
• InChIKey: HFZWRUODUSTPEG-CBYSEHNBSA-N
• INCHI: 1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H/i1D,2D,3D
• Isomere SMILES: [2H]C1=C(C(=C(C(=C1O)Cl)[2H])Cl)[2H]
• Alternative CAS-Nummer: 120-83-2（Unlabeled）
• Molekulargewicht: 166.02
• Reaxy-Rn: 742467
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: P-chlorophenols O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-chlorophenol - 2-chlorophenol - 2-halophenol - 4-halophenol - 1,3-dichlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Moisture sensitive
• Siedepunkt (°C): 209-210 °C (lit.)
• Schmelzpunkt (°C): 42-43 °C (lit.)
• Molekulargewicht: 166.020 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 164.983 Da
• Monoisotopic Mass: 164.983 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• Isotope Atom Count: 3
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 93951-74-7, the molecular formula is C6D3HCl2O, and the molecular weight is 166.02 g/mol. InChIKey HFZWRUODUSTPEG-CBYSEHNBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.