2,4-Dinitrophenetole

Base Information

• Chemical Name: 2,4-Dinitrophenetole
• CAS No.: 610-54-8
• Molecular Formula: C8H8 N2 O5
• Molecular Weight: 212.162
• Hs Code.: 2909309090
• European Community (EC) Number: 210-228-4
• NSC Number: 6227
• DSSTox Substance ID: DTXSID3060588
• Nikkaji Number: J79.065F
• Wikidata: Q27135636
• Metabolomics Workbench ID: 64932
• Mol file: 610-54-8.mol

Synonyms:2,4-DINITROPHENETOLE;1-Ethoxy-2,4-dinitrobenzene;610-54-8;2,4-Dinitrophenyl ethyl ether;Phenetole, 2,4-dinitro-;2,4-Dinitrofenetol;Benzene, 1-ethoxy-2,4-dinitro-;2,4-Dinitrofenetol [Czech];NSC 6227;EINECS 210-228-4;BRN 1884582;AI3-00707;4-06-00-01373 (Beilstein Handbook Reference);NSC6227;2,4-Dinitrophenetol;alpha-Dinitrophenetole;Phenetole,4-dinitro-;Tetrahydrofurfurylbenzoate;WLN: WNR CNW DO2;1-ethoxy-2,4-dinitro-benzene;2,4-Dinitro-1-ethoxy-benzene;SCHEMBL1984504;DTXSID3060588;CHEBI:67130;YSOKMOXAGMIZFZ-UHFFFAOYSA-;NSC-6227;MFCD00024224;STK667084;AKOS000414636;BS-22807;LS-103816;CS-0206333;D2621;FT-0632546;D90093;A833026;Q27135636

Chemical Property of 2,4-Dinitrophenetole

Chemical Property:

• Vapor Pressure: 5.02E-05mmHg at 25°C
• Melting Point: 86 °C
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 211 °C / 15mmHg
• Flash Point: 176.5°C
• PSA: 100.87000
• Density: 1.381g/cm³
• LogP: 2.94810
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 212.04332136
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dinitrophenetole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4-Dinitrophenetole

There total 67 articles about 2,4-Dinitrophenetole 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: 94.0%

diethyl sulfate (64-67-5) + 2,4-Dinitrophenol (51-28-5) → 2,4-dinitro-1-ethoxybenzene (610-54-8)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 70 ℃; for 0.5h;

DOI:10.1016/S0040-4039(98)00885-5

Reference yield: 7.4%

Phenetole (103-73-1) → 2,4-dinitro-1-ethoxybenzene (610-54-8)

Guidance literature:

With nitric acid; propionic acid anhydride; at 0 - 50 ℃;

Reference yield:

2,4-dinitrobromobenzene (584-48-5) + ethanol (64-17-5) → 2,4-dinitro-1-ethoxybenzene (610-54-8)

Guidance literature:

With potassium fluoride;

upstream raw materials:

2,4-dinitrobromobenzene

ethanol

5-(2,4-dinitro-anilino)-penta-2,4-dienal

2,4-dinitroanisole

Downstream raw materials:

1-propoxy-2,4-dinitrobenzene

2,4-diamino-1-ethoxybenzene

2,4-Dinitroanilin

benzene-1,2,4-triamine

Refernces

• 1、 Hawker, Rebecca R.,Haines, Ronald S.,Harper, Jason B.. "The effect of varying the anion of an ionic liquid on the solvent effects on a nucleophilic aromatic substitution reaction". supporting information. p. 3453 - 3463. Retrieved 2018/05/23.
• 2、 Hawker, Rebecca R.,Panchompoo, Janjira,Aldous, Leigh,Harper, Jason B.. "Novel Chloroimidazolium-Based Ionic Liquids: Synthesis, Characterisation and Behaviour as Solvents to Control Reaction Outcome". . p. 574 - 583. Retrieved 2016/07/06.