Phenol-d5

Base Information

• Chemical Name: Phenol-d5
• CAS No.: 4165-62-2
• Molecular Formula: C6HD5O
• Molecular Weight: 99.0733
• European Community (EC) Number: 685-274-5
• Nikkaji Number: J261.027B
• Wikidata: Q63408938
• Mol file: 4165-62-2.mol

Synonyms:Phenol-d5;4165-62-2;Phen-d5-ol;2,3,4,5,6-pentadeuteriophenol;PHENOL-D6-D;Phenol-D6 (D, 98%);Phenol-2,3,4,5,6-d5;PHENOL (2,3,4,5,6-D5);Phenol-2,3,4,5,6 D5;Phenol (ring-D5);Phen-2,3,4,5,6-d5-ol;Phen-d5-ol (7CI,8CI,9CI);2,3,4,5,6-Pentadeuteriophenol;(?H?)phenol;Phenol D5 (2,3,4,5,6 D5);Phenol D5 200 microg/mL in Dichloromethane;Phenol-2,3,4,5,6-d?;Phenol D5 (2,3,4,5,6 D5) 100 microg/mL in Acetone;Phenol D5 (2,3,4,5,6 D5) 100 microg/mL in Methanol;MFCD00084164;AKOS015912633;Phenol-2,3,4,5,6-d5, 98 atom % D;Q63408938

Chemical Property of Phenol-d5

Chemical Property:

• Appearance/Colour: solid
• 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: 1.128g/cm³
• LogP: 1.39220
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 99.073248540
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

99% ^*data from raw suppliers

Phenol-d5 ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])O)[2H])[2H]
• Uses: Phenol-d5 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. Phenol-2,3,4,5,6-d5 can be used as an internal analytical standard for accurate data interpretation using various analytical techniques.

Technology Process of Phenol-d5

There total 13 articles about Phenol-d5 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) → phenol-d5 (4165-62-2)

Guidance literature:

With water-d2; isopropyl alcohol; at 100 ℃; for 0.0166667h; Reagent/catalyst; Temperature; Catalytic behavior; Flow reactor;

DOI:10.1246/BCSJ.20200325

Reference yield: 78.0%

4-Fluorophenol (371-41-5) → phenol-d5 (4165-62-2) + 4-fluorophenol-d4

Guidance literature:

With 10% Pt/activated carbon; water-d2; In isopropyl alcohol; at 20 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.oprd.8b00383

Reference yield: 70.0%

2,3,4,5,6-pentadeuteriobenzaldehyde (14132-51-5) → phenol-d5 (4165-62-2)

Guidance literature:

for 192h;

DOI:10.1002/cctc.202101408

upstream raw materials:

benzene-d6

Pentachlorophenol

phenol-d6

water

Downstream raw materials:

2-hydroxy-[3,4,5,6,7-2H₅]-benzaldehyde

4-chloro-2,3,5,6-tetradeuteriophenol

hexaphenoxycyclotriphosphazene

C₁₇H₂₁⁽²⁾H₅O