4-Fluoro-2,6-dinitrophenol

Base Information

• Chemical Name: 4-Fluoro-2,6-dinitrophenol
• CAS No.: 364-32-9
• Molecular Formula: C6H3 F N2 O5
• Molecular Weight: 202.099
• Hs Code.: 2908999090
• NSC Number: 10258
• DSSTox Substance ID: DTXSID00189920
• Nikkaji Number: J1.889.551J
• Wikidata: Q83062144
• Mol file: 364-32-9.mol

Synonyms:2,6-Dinitro-4-fluorophenol;4-Fluoro-2,6-dinitrophenol;364-32-9;Phenol, 4-fluoro-2,6-dinitro-;SCHEMBL3286500;DTXSID00189920;MDOWEUXXLVBZIU-UHFFFAOYSA-N;Phenol, 2,6-dinitro-4-fluoro-,;NSC10258;MFCD00179333;NSC 10258;NSC-10258;AKOS015833307;AS-58918;CS-0366589;FT-0632045;A823243

Chemical Property of 4-Fluoro-2,6-dinitrophenol

Chemical Property:

• Vapor Pressure: 0.0101mmHg at 25°C
• Melting Point: 54-56°C
• Boiling Point: 255.6°Cat760mmHg
• PKA: 2.96±0.10(Predicted)
• Flash Point: 108.4°C
• PSA: 111.87000
• Density: 1.745g/cm³
• LogP: 2.39410
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 202.00259936
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dinitro-4-fluorophenol 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])F

Technology Process of 4-Fluoro-2,6-dinitrophenol

There total 10 articles about 4-Fluoro-2,6-dinitrophenol 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: 99.0%

4-Fluorophenol (371-41-5) → 4-fluoro-2,6-dinitrophenol (364-32-9)

Guidance literature:

With trichloroisocyanuric acid; silica gel; sodium nitrite; at 20 ℃; for 0.25h;

DOI:10.1055/s-2003-42063

Reference yield: 63.0%

fluorobenzene (462-06-6) → 4-fluoro-2,6-dinitrophenol (364-32-9)

Guidance literature:

With oxygen; nitric acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In water; at 30 ℃; for 24h; Irradiation; Large scale;

DOI:10.1021/acs.joc.7b02333

Reference yield: 5.0%

sodium picrate (3324-58-1) → 4-fluoro-2,6-dinitrophenol (364-32-9) + 2-hydroxy-1,5-dinitro-3-fluorobenzene (2265-90-9)

Guidance literature:

With cesium fluoroxysulphate; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1007/BF00961247

upstream raw materials:

1-fluoro-4-methoxybenzene

4-ethoxy-1-fluorobenzene

4-Fluorophenol

4-fluorophenyl acetate

Downstream raw materials:

4-Fluoro-2,4,6-trinitro-cyclohexa-2,5-dienone

2,6-dinitro-4-fluoroanisole

4-Fluoro-2,6-dinitroaniline

4-fluoro-2,6-dinitro-phenol; potassium-compound

Refernces

• 1、 Hofmann, Laura Elena,Mach, Leonard,Heinrich, Markus R.. "Nitrogen Oxides and Nitric Acid Enable the Sustainable Hydroxylation and Nitrohydroxylation of Benzenes under Visible Light Irradiation". supporting information. p. 431 - 436. Retrieved 2017/12/15.
• 2、 Jirandehi, Hassan Fathinejad,Mirzaeian, Marjan. "Nitration of phenolic compounds by antimony nitrate". experimental part. p. 284 - 286. Retrieved 2011/07/08.