2,4-Dinitrophenyl benzoate

Base Information

• Chemical Name: 2,4-Dinitrophenyl benzoate
• CAS No.: 1523-15-5
• Molecular Formula: C13H8 N2 O6
• Molecular Weight: 288.216
• NSC Number: 62648
• DSSTox Substance ID: DTXSID10289667
• Nikkaji Number: J660.476E
• Wikidata: Q82027081
• ChEMBL ID: CHEMBL3272646
• Mol file: 1523-15-5.mol

Synonyms:2,4-dinitrophenyl benzoate;1523-15-5;NSC62648;NCIOpen2_002739;CHEMBL3272646;DTXSID10289667;NSC-62648;AKOS002710429

Chemical Property of 2,4-Dinitrophenyl benzoate

Chemical Property:

• Vapor Pressure: 4.31E-10mmHg at 25°C
• Boiling Point: 499°C at 760 mmHg
• Flash Point: 234.6°C
• Density: 1.466g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 288.03823598
• Heavy Atom Count: 21
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4-Dinitrophenyl benzoate

There total 12 articles about 2,4-Dinitrophenyl benzoate 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%

2,4-Dinitrophenol (51-28-5) + benzoic acid (65-85-0,8013-63-6) → 2,4-dinitrophenyl benzoate (1523-15-5)

Guidance literature:

With iodine; triethylamine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2016.03.105

Reference yield: 82.0%

2,4-Dinitrophenol (51-28-5) + benzoyl chloride (98-88-4) → 2,4-dinitrophenyl benzoate (1523-15-5)

Guidance literature:

With zinc(II) oxide; at 90 ℃; for 0.666667h;

DOI:10.1016/j.tet.2005.09.002

Reference yield: 73.0%

2,4-Dinitrophenol (51-28-5) + 2-benzoylthio-1-methylpyridinium chloride → 2,4-dinitrophenyl benzoate (1523-15-5)

Guidance literature:

With sodium hydroxide; In chloroform; water; for 1.5h; Ambient temperature;

DOI:10.1246/bcsj.61.247

upstream raw materials:

2,4-Dinitrophenol

benzoyl chloride

Potassium benzoate

1-chloro-2,4-dinitro-benzene

Downstream raw materials:

5-amino-2-phenyl-1,3-benzoxazole

2-naphthyl benzoate

1-benzoyl-pyridinium

2,4-dinitrophenolate