Sodium phenoxide

Base Information

• Chemical Name: Sodium phenoxide
• CAS No.: 139-02-6
• Deprecated CAS: 860383-26-2,2097263-74-4
• Molecular Formula: C6H6 O . Na
• Molecular Weight: 116.095
• Hs Code.: 2907119000
• European Community (EC) Number: 205-347-3,616-197-7
• UNII: 4NC0T56V35
• UN Number: 2905
• ChEMBL ID: CHEMBL2107497
• DSSTox Substance ID: DTXSID4027072
• NCI Thesaurus Code: C82320
• Nikkaji Number: J5.639A
• Wikidata: Q410045
• Wikipedia: Sodium_phenoxide
• Mol file: 139-02-6.mol

Synonyms:Carbol;Carbolic Acid;Hydroxybenzene;Phenol;Phenol, Sodium Salt;Phenolate Sodium;Phenolate, Sodium;Sodium Phenolate

Chemical Property of Sodium phenoxide

Chemical Property:

• Appearance/Colour: white like or light brown crystalline powder
• Vapor Pressure: 0.614mmHg at 25°C
• Melting Point: >300℃
• Boiling Point: 181.8 °C at 760 mmHg
• Flash Point: 28°C
• PSA: 23.06000
• Density: 0,898 g/cm3
• LogP: 1.83040
• Storage Temp.: below 5° C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly, Sonicated), Methanol (Slightly)
• Water Solubility.: Very soluble in water, soluble in alcoholSoluble in water, acetone and alcohol.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.02380906
• Heavy Atom Count: 8
• Complexity: 50.5
• Transport DOT Label: Corrosive

Purity/Quality:

98% ^*data from raw suppliers

Sodium phenoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Strong irritant to skin and tissue.
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: C1=CC=C(C=C1)[O-].[Na+]
• Uses: Sodium phenoxide is used as a precursor to aryl ethers and involved in the preparation of phenyl ethers and metal phenolates. It serves as an antiseptic and used in organic synthesis. As a general disinfectant, either in solution or mixed with slaked lime, etc., for toilets, stables, cesspools, floors, drains, etc.; for the manufacture of colorless or light-colored artificial resins, many medical and industrial organic Compounds and dyes; as a reagent in chemical analysis. Pharmaceutic aid (preservative).

Technology Process of Sodium phenoxide

There total 72 articles about Sodium phenoxide 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: 98.9%

phenol (108-95-2,27073-41-2) → sodium phenoxide (139-02-6)

Guidance literature:

With sodium hydroxide; In methanol; water;

Reference yield: 65.0%

sodium 4-methylphenoxide (1121-70-6) + poly(styrene p-tolyliodonium) hydrogensulfate → sodium phenoxide (139-02-6)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 24h;

DOI:10.1081/SCC-100105332

Reference yield:

Methyl-(4-nitro-phenyl)-carbamic acid phenyl ester (50882-34-3) → sodium phenoxide (139-02-6) + N-methyl(p-nitroaniline) (100-15-2)

Guidance literature:

With sodium hydroxide; cetyltrimethylammonim bromide; In methanol; water; at 68.5 ℃; Rate constant;

upstream raw materials:

methanol

dimethyl phenyl phosphate

sodium methylate

diethyl ether

Downstream raw materials:

2-Phenoxyethanol

(1-bromo-vinyl)-phenyl ether

bromo-acetaldehyde diphenylacetal

ortho-dimethylaminomethylphenol

Refernces

• 1、 Kranzfelder,Sowa. "-". . p. 1190. Retrieved 1937.
• 2、 Bouzat, Cecilia,Castro, María Julia,Faraoni, María Belén,Gerbino, Darío,Turani, Ornella. "A New Antagonist of Caenorhabditis elegans Glutamate-Activated Chloride Channels With Anthelmintic Activity". . . Retrieved 2020.
• 3、 -. "Synthetic method of methyl salicylate". Paragraph 0016; 0020; 0024. . Retrieved 2021/02/10.
• 4、 Eberhardt, Nathan A.,Wellala, Nadeesha P. N.,Li, Yingze,Krause, Jeanette A.,Guan, Hairong. "Dehydrogenative Coupling of Aldehydes with Alcohols Catalyzed by a Nickel Hydride Complex". . p. 1468 - 1478. Retrieved 2019/04/17.