2-Fluoro-6-phenoxybenzonitrile

Base Information

• Chemical Name: 2-Fluoro-6-phenoxybenzonitrile
• CAS No.: 175204-06-5
• Molecular Formula: C₁₃H₈FNO
• Molecular Weight: 213.211
• Hs Code.: 2926909090
• European Community (EC) Number: 642-540-5
• DSSTox Substance ID: DTXSID80372075
• Wikidata: Q72475595
• Mol file: 175204-06-5.mol

Synonyms:2-fluoro-6-phenoxybenzonitrile;175204-06-5;2-Fluoro-6-phenyloxybenzonitrile;2-Fluoro-6-(phenoxy)benzonitrile;2-Cyano-3-fluorodiphenyl ether;Benzonitrile, 2-fluoro-6-phenoxy-;CDS1_000841;Maybridge1_005593;Oprea1_529843;DivK1c_001881;SCHEMBL2127539;2-fluoro-6--phenoxybenzonitrile;2-fluoro-6-phenoxy-benzonitrile;HMS557G05;DTXSID80372075;FBHXELGUZCMKQY-UHFFFAOYSA-N;CK2135;MFCD00068201;AKOS005258028;PS-7971;2-Fluoro-6-phenoxybenzonitrile, AldrichCPR;CS-0313056;FT-0612399;A811899;BRD-K53297276-001-01-8

Chemical Property of 2-Fluoro-6-phenoxybenzonitrile

Chemical Property:

• Appearance/Colour: Off white
• Vapor Pressure: 0.000678mmHg at 25°C
• Melting Point: 90-93°C
• Refractive Index: 1.591
• Boiling Point: 308.5 °C at 760 mmHg
• Flash Point: 140.4 °C
• PSA: 33.02000
• Density: 1.24 g/cm³
• LogP: 3.48968
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.058992041
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

99%, ^*data from raw suppliers

2-Fluoro-6-phenoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,N,Xi
• Statements: 36/37/38-50-41-37/38
• Safety Statements: 26-36/37/39-61-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N

Technology Process of 2-Fluoro-6-phenoxybenzonitrile

There total 1 articles about 2-Fluoro-6-phenoxybenzonitrile 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:

→ 2-phenoxy-6-fluorobenzonitrile (175204-06-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 10h;

Reference yield: 74.0%

2-phenoxy-6-fluorobenzonitrile (175204-06-5) + 1-fluoro-4-methyl-1,4-diazoniabicyclo<2.2.2>octane ditetrafluoroborate → C20H22FN3O(2+)*2BF4(1-)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; C₂₀H₂₈N₄O₂Pd⁽²⁺⁾*2BF₄^(1-); In acetonitrile; at 23 ℃; for 24h; Sealed tube;

DOI:10.1002/anie.201804628

Reference yield:

2-phenoxy-6-fluorobenzonitrile (175204-06-5) + bis(4-(3-(perfluorooctyl)propoxy)phenyl)methanone oxime → C48H28F34N2O4

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 95 ℃; for 0.666667h; Temperature; Time; Microwave irradiation;

DOI:10.1039/c3gc36966h

Downstream raw materials:

5-phenoxyquinazoline-2,4-diamine

2-fluoro-6-(p-tolyloxy)benzonitrile

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