2-Phenylphenol

Base Information

• Chemical Name: 2-Phenylphenol
• CAS No.: 90-43-7
• Deprecated CAS: 192076-92-9,39387-78-5
• Molecular Formula: C12H10O
• Molecular Weight: 170.211
• Hs Code.: 2907199011
• European Community (EC) Number: 201-993-5
• ICSC Number: 0669
• NSC Number: 1548
• UN Number: 3077
• UNII: D343Z75HT8
• DSSTox Substance ID: DTXSID2021151
• Nikkaji Number: J3.555F
• Wikipedia: 2-Phenylphenol
• Wikidata: Q209467
• Metabolomics Workbench ID: 45627
• ChEMBL ID: CHEMBL108829
• Mol file: 90-43-7.mol

Synonyms:2-hydroxybiphenyl;2-hydroxydiphenyl;2-phenylphenol;2-phenylphenol sodium;Dowicide;Lyorthol;o-phenylphenate;o-phenylphenol;ortho-phenylphenate;orthophenylphenol;sodium o-phenylphenoate;sodium ortho-phenylphenate;sodium ortho-phenylphenol

Chemical Property of 2-Phenylphenol

Chemical Property:

• Appearance/Colour: Off-white powder
• Vapor Pressure: 0.00202mmHg at 25°C
• Melting Point: 57-59 °C(lit.)
• Refractive Index: 1.604
• Boiling Point: 282 °C at 760 mmHg
• Flash Point: 140.3 °C
• PSA: 20.23000
• Density: 1.111 g/cm³
• LogP: 3.05920
• Water Solubility.: 0.7 g/L (20℃)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073164938
• Heavy Atom Count: 13
• Complexity: 149
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi:Irritant;; <
• Statements: R36/37/38:; R50:
• Safety Statements: S22:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC=C2O
• Recent EU Clinical Trials: A 96 hour (4-application) patch test and TEWL assessment in healthy volunteers to investigate the comparative skin irritation potential of six antiseptics and two controls following cutaneous patch application.
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes. The substance is irritating to the skin and respiratory tract.
• Effects of Long Term Exposure: Tumours have been detected in experimental animals but may not be relevant to humans.

Technology Process of 2-Phenylphenol

There total 226 articles about 2-Phenylphenol 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: 69.0%

bromobenzene (108-86-1,52753-63-6) + phenol (108-95-2,27073-41-2) → (1,1';3',1''-terphenyl)-2'-ol (2432-11-3) + 2-Phenylphenol (90-43-7,287950-96-3)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium carbonate; Hexamethylphosphorous triamide; caesium carbonate; In toluene; at 100 ℃; for 20h;

DOI:10.1016/j.tetlet.2003.09.151

Reference yield: 42.0%

tetraphenyl-bismuth trifluoroacetate (83566-43-2) + phenol (108-95-2,27073-41-2) → diphenylether (101-84-8) + (1,1';3',1''-terphenyl)-2'-ol (2432-11-3) + 2-Phenylphenol (90-43-7,287950-96-3)

Guidance literature:

With N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; In toluene; at 80 ℃; for 24h; in the dark;

DOI:10.1016/S0040-4020(01)89960-9

Reference yield: 35.0%

tetraphenylbismuth 4-methylbenzenesulfonate (83566-44-3) + phenol (108-95-2,27073-41-2) → diphenylether (101-84-8) + (1,1';3',1''-terphenyl)-2'-ol (2432-11-3) + 2-Phenylphenol (90-43-7,287950-96-3)

Guidance literature:

With N,N,N′,N′-tetramethyl-N″-tert-butylguanidine;

DOI:10.1016/S0040-4020(01)89960-9

upstream raw materials:

dibenzofuran

diphenylether

ethylmagnesium bromide

phenyl sodium

Downstream raw materials:

2-methoxy-1,1'-biphenyl

2-(2'-hydroxy-biphenyl-4-carbonyl)-benzoic acid

3,3-bis(2-hydroxy-5-biphenylyl)phthalide

2-hydroxy-3-phenylbenzaldehyde

Refernces

• 1、 De Tovar, Jonathan,Rataboul, Franck,Djakovitch, Laurent. "From the grafting of NHC-based Pd(II) complexes onto TiO2 to the in situ generation of Mott-Schottky heterojunctions: The boosting effect in the Suzuki-Miyaura reaction. Do the evolved Pd NPs act as reservoirs?". . p. 133 - 147. Retrieved 2021/05/10.
• 2、 Feofanov, Mikhail,Akhmetov, Vladimir,Takayama, Ryo,Amsharov, Konstantin. "Catalyst-Free Synthesis of O-Heteroacenes by Ladderization of Fluorinated Oligophenylenes". supporting information. p. 5199 - 5203. Retrieved 2021/02/21.