Ethyl bis(2,4-dinitrophenyl)acetate

Base Information

• Chemical Name: Ethyl bis(2,4-dinitrophenyl)acetate
• CAS No.: 5833-18-1
• Molecular Formula: C16H12 N4 O10
• Molecular Weight: 420.292
• European Community (EC) Number: 227-415-1
• NSC Number: 8659
• DSSTox Substance ID: DTXSID3064017
• Nikkaji Number: J85.196E
• Wikidata: Q81991175
• Mol file: 5833-18-1.mol

Synonyms:5833-18-1;Ethyl bis(2,4-dinitrophenyl)acetate;Bis(2,4-dinitrophenyl)acetic acid ethyl ester;ethyl 2,2-bis(2,4-dinitrophenyl)acetate;NSC 8659;EINECS 227-415-1;Ethyl-bis(2,4-dinitrophenyl)acetate;BRN 2493327;ACETIC ACID, BIS(2,4-DINITROPHENYL)-, ETHYL ESTER;Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester;Benzeneacetic acid, .alpha.-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester;3-09-00-03315 (Beilstein Handbook Reference);Benzeneacetic acid, alpha-(2,4-dinitrophenyl)-2,4-dinitro-, ethylester;NSC8659;C16H12N4O10;SCHEMBL546884;DTXSID3064017;NSC-8659;ethylbis(2,4-dinitrophenyl) acetate;Benzeneacetic acid, ?-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester;Ethyl=bis(2,4-dinitrophenyl)acetate;MFCD00051351;AKOS003234756;C16-H12-N4-O10;Acetic acid,4-dinitrophenyl)-, ethyl ester;B0817;CS-0453887;D88697;BIS(2,4-DINITROPHENYL)ACETICACIDETHYLESTER;Benzeneacetic acid,4-dinitrophenyl)-2,4-dinitro-, ethyl ester

Chemical Property of Ethyl bis(2,4-dinitrophenyl)acetate

Chemical Property:

• Appearance/Colour: yellow to ochre fine crystalline powder
• Vapor Pressure: 9.53E-16mmHg at 25°C
• Melting Point: 156 °C
• Boiling Point: 629.3°Cat760mmHg
• PKA: 8.3(at 25℃)
• Flash Point: 269.3°C
• PSA: 209.58000
• Density: 1.556g/cm³
• LogP: 5.10720
• Solubility.: Solubility Insoluble in water; soluble in ethanol, acetone
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 420.05534259
• Heavy Atom Count: 30
• Complexity: 644

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl2,2-Bis(2,4-dinitrophenyl)acetate ^*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: CCOC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Ethyl bis(2,4-dinitrophenyl)acetate

There total 11 articles about Ethyl bis(2,4-dinitrophenyl)acetate 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:

ethyl diphenylacetate (3468-99-3) → ethyl 2,2-bis(2,4-dinitrophenyl)acetate (5833-18-1)

Guidance literature:

With nitric acid; at -18 ℃; Behandeln der Loesung mit rauchender Schwefelsaeure;

Reference yield:

diethyl (2,4-dinitrophenyl)malonate (4950-04-3) → ethyl 2,2-bis(2,4-dinitrophenyl)acetate (5833-18-1)

Guidance literature:

With sodium hydroxide; Behandeln mit 4-Brom-1.3-dinitro-benzol;

Reference yield:

2,4-dinitrobromobenzene (584-48-5) → ethyl 2,2-bis(2,4-dinitrophenyl)acetate (5833-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol

2: NaOH-solution / Behandeln mit 4-Brom-1.3-dinitro-benzol

With sodium hydroxide; ethanol;

upstream raw materials:

2,4-dinitrobromobenzene

ethanol

(2,4-dinitro-phenyl)-malonic acid diethyl ester; sodium-compound

α-(2,4-dinitrophenyl)ethyl acetate

Downstream raw materials:

2,2',4,4'-tetranitrodiphenylmethane

ammonia

cis-nitrous acid

2,4,2',4'-Tetranitro-diphenylessigsaeure