Phen-2,4,6-d3-ol

Base Information

• Chemical Name: Phen-2,4,6-d3-ol
• CAS No.: 7329-50-2
• Molecular Formula: C6H3D3O
• Molecular Weight: 97.0892
• European Community (EC) Number: 685-254-6
• Nikkaji Number: J504.302F
• Mol file: 7329-50-2.mol

Synonyms:Phen-2,4,6-d3-ol;7329-50-2;Phenol-2,4,6-d3;2,4,6-Phenol-d3;2,4,6-trideuteriophenol;Phenol-2,4,6-d3,OD;AKOS015913303;Phenol-2,4,6-d3, 98 atom % D;D99569

Chemical Property of Phen-2,4,6-d3-ol

Chemical Property:

• Vapor Pressure: 0.614mmHg at 25°C
• Melting Point: 40-42 °C(lit.)
• Refractive Index: 1.553
• Boiling Point: 181.8 °C at 760 mmHg
• Flash Point: 72.5 °C
• PSA: 20.23000
• Density: 1.105 g/cm³
• LogP: 1.39220
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 97.060695048
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

98%min ^*data from raw suppliers

Phenol-2,4,6-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; C
• Hazard Codes: T,C
• Statements: 23/24/25-34-48/20/21/22-68
• Safety Statements: 24/25-26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)O
• Isomeric SMILES: [2H]C1=CC(=C(C(=C1)[2H])O)[2H]
• Uses: Phenol-2,4,6-d3 is purified here for molecular genetics applications. It is naturally found in tea leaves and plants, and has uses in the synthesis of antioxidant compounds due to the antioxidant activity caus ed by the phenol moiety. This structure also allows it to be used for syntheses of anti-bacterial & anti-carcinogenic compounds.

Technology Process of Phen-2,4,6-d3-ol

There total 4 articles about Phen-2,4,6-d3-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

phenol (108-95-2,27073-41-2) → <2,4,6-(2)H>-phenol (7329-50-2)

Guidance literature:

With sulfuric acid; water-d2; at 110 ℃; for 8h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4cc08343a

Reference yield: 91.0%

4-bromo-phenol (106-41-2) → <2,4,6-(2)H>-phenol (7329-50-2)

Guidance literature:

With 1,10-Phenanthroline; carbon monoxide; water-d2; copper diacetate; triethylamine; at 130 ℃; for 144h; under 37503.8 Torr;

DOI:10.1039/d1sc04259a

Reference yield:

phenol (108-95-2,27073-41-2) → <2,4,6-(2)H>-phenol (7329-50-2)

Guidance literature:

Behandeln des Reaktionsprodukts mit Wasser;

upstream raw materials:

phenol

4-bromo-phenol

Downstream raw materials:

<2,6-²H₂>-4-nitrophenol

2-(2.4.6-D₃)Phenoxy-4.5-benz-tropon

2-(2.4.6-D₃)Phenoxy-4.5-benz-(7-D)tropon

2-(2.4.6-D₃)Phenoxy-4.5-benz-(3.6-D₂)tropon

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