Ethyl 3,5-dinitro-2-phenylbenzoate

Base Information

• Chemical Name: Ethyl 3,5-dinitro-2-phenylbenzoate
• CAS No.: 6276-07-9
• Molecular Formula: C₁₅H₁₂N₂O₆
• Molecular Weight: 316.27
• NSC Number: 36451
• DSSTox Substance ID: DTXSID10978408
• Wikidata: Q82963777
• Mol file: 6276-07-9.mol

Synonyms:6276-07-9;NSC36451;DTXSID10978408;NSC-36451;Ethyl 4,6-dinitro[1,1'-biphenyl]-2-carboxylate

Chemical Property of Ethyl 3,5-dinitro-2-phenylbenzoate

Chemical Property:

• Vapor Pressure: 4.74E-09mmHg at 25°C
• Boiling Point: 471.2°Cat760mmHg
• Flash Point: 202.7°C
• Density: 1.358g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 316.06953611
• Heavy Atom Count: 23
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2

Technology Process of Ethyl 3,5-dinitro-2-phenylbenzoate

There total 1 articles about Ethyl 3,5-dinitro-2-phenylbenzoate 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:

iodobenzene (591-50-4) + 1-chloro-2,4-dinitro-6-carboethoxybenzene (7251-28-7) → 4,6-dinitro-biphenyl-2-carboxylic acid ethyl ester (6276-07-9)

Guidance literature:

With copper; at 200 ℃;

DOI:10.1021/ja01514a019 DOI:10.1039/jr9300001758

upstream raw materials:

iodobenzene

1-chloro-2,4-dinitro-6-carboethoxybenzene