Bis(2,4-dichloro-5-nitrophenyl) carbonate

Base Information

• Chemical Name: Bis(2,4-dichloro-5-nitrophenyl) carbonate
• CAS No.: 39489-75-3
• Molecular Formula: C₁₃H₄Cl₄N₂O₇
• Molecular Weight: 441.996
• European Community (EC) Number: 254-471-4
• UNII: L2E3BJ6JBY
• DSSTox Substance ID: DTXSID70192623
• Nikkaji Number: J32.770K
• Wikidata: Q83065285
• Mol file: 39489-75-3.mol

Synonyms:Bis(2,4-dichloro-5-nitrophenyl) carbonate;39489-75-3;L2E3BJ6JBY;EINECS 254-471-4;Phenol,2,4-dichloro-5-nitro-, carbonate (2:1) (ester) (9CI);EC 254-471-4;UNII-L2E3BJ6JBY;C13H4Cl4N2O7;SCHEMBL11347001;DTXSID70192623;C13-H4-Cl4-N2-O7;Bis-(2,4-dichloro-5-nitrophenyl)carbonate;FT-0663259;W-110924;Carbonic acid bis(2,4-dichloro-5-nitrophenyl) ester;phenol, 2,4-dichloro-5-nitro-, carbonate (2:1) (ester)

Chemical Property of Bis(2,4-dichloro-5-nitrophenyl) carbonate

Chemical Property:

• Vapor Pressure: 9.86E-12mmHg at 25°C
• Boiling Point: 540.1°Cat760mmHg
• Flash Point: 280.5°C
• PSA: 127.17000
• Density: 1.764g/cm³
• LogP: 6.74080
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 441.874311
• Heavy Atom Count: 26
• Complexity: 512

Purity/Quality:

99.9% ^*data from raw suppliers

Bis(2,4-dichloro-5-nitrophenyl)Carbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1OC(=O)OC2=C(C=C(C(=C2)[N+](=O)[O-])Cl)Cl)Cl)Cl)[N+](=O)[O-]
• Uses: Bis(2,4-dichloro-5-nitrophenyl) Carbonate can be used as microbiocide.

Technology Process of Bis(2,4-dichloro-5-nitrophenyl) carbonate

There total 2 articles about Bis(2,4-dichloro-5-nitrophenyl) carbonate 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: 98.07%

bis(2,4-dichlorophenyl) carbonate (26496-99-1) → bis(2,4-dichloro-5-nitrophenyl) carbonate (39489-75-3)

Guidance literature:

With nitric acid; methyl tributylammonium chloride; In 1,1,2,2-tetrachloroethylene; at 5 - 40 ℃; for 7h; Time;

Reference yield:

2,4-dichlorophenol (120-83-2,40477-79-0) → bis(2,4-dichloro-5-nitrophenyl) carbonate (39489-75-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; sodium sulfite / chloroform; water / 2 h / 25 - 35 °C / pH Ca_. 10

2: nitric acid / chloroform / 30 - 50 °C

With nitric acid; triethylamine; sodium sulfite; In chloroform; water;

upstream raw materials:

bis(2,4-dichlorophenyl) carbonate

2,4-dichlorophenol