2,6-Dinitrophenol

Base Information

• Chemical Name: 2,6-Dinitrophenol
• CAS No.: 573-56-8
• Molecular Formula: C6H4 N2 O5
• Molecular Weight: 184.108
• Hs Code.: 29089990
• European Community (EC) Number: 209-357-9
• NSC Number: 6215
• UN Number: 1320
• UNII: F4QM4I92KC
• DSSTox Substance ID: DTXSID5022063
• Nikkaji Number: J27.366J
• Wikidata: Q20856130
• Metabolomics Workbench ID: 56260
• ChEMBL ID: CHEMBL3278560
• Mol file: 573-56-8.mol

Synonyms:2,6-dinitrophenol

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Chemical Property of 2,6-Dinitrophenol

Chemical Property:

• Vapor Pressure: 0.0266mmHg at 25°C
• Melting Point: 61-63 °C(lit.)
• Refractive Index: 1.4738 (estimate)
• Boiling Point: 239°Cat760mmHg
• PKA: 3.69, 3.7, 3.5(at 25℃)
• Flash Point: 104.8°C
• PSA: 111.87000
• Density: 1.65g/cm³
• LogP: 2.25500
• Solubility.: Solubility Sparingly soluble in water; soluble in ethanol, chlor
• Water Solubility.: 314.9mg/L(15 oC)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 184.01202123
• Heavy Atom Count: 13
• Complexity: 198
• Transport DOT Label: Flammable Solid Poison

Purity/Quality:

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 23/24/25-33-51/53-50/53
• Safety Statements: 28-37-45-61-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrophenols
• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

Technology Process of 2,6-Dinitrophenol

There total 71 articles about 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: 95.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2,4-Dinitrophenol (51-28-5) + 2,6-dinitrophenol (573-56-8)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1002/jccs.200500086

Reference yield: 92.0%

2,6-dinitroanisole (3535-67-9) → 2,6-dinitrophenol (573-56-8)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -5 - 25 ℃;

DOI:10.3184/030823410X12708998015900

Reference yield: 90.0%

N-(2,6-dinitrophenyl)-α-alanine (18710-65-1) → 2-methyl-7-nitro-1H-benzimidazole-3-oxide + 2,6-dinitrophenol (573-56-8)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; for 0.25h; Heating;

DOI:10.1002/poc.1017

upstream raw materials:

meta-dinitrobenzene

1,2,3-trinitrobenzene

2,6-dinitroanisole

sodium methylate

Downstream raw materials:

2,6-dinitrophenyl benzoate

toluene-4-sulfonic acid 2,6-dinitro-phenyl ester

1-chloro-2,6-dinitrobenzene

2,6-dinitroaniline

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、 Verma, Sanny,Pandita, Sangeeta,Jain, Suman L.. "Microwave assisted synthesis of nitro phenols from the reaction of phenols with urea nitrate under acid-free conditions". . p. 1320 - 1322. Retrieved 2014/03/21.