1,3-Bis(3-nitrophenoxy)benzene

Base Information

• Chemical Name: 1,3-Bis(3-nitrophenoxy)benzene
• CAS No.: 54060-31-0
• Molecular Formula: C18H12 N2 O6
• Molecular Weight: 352.303
• Hs Code.: 2909309090
• European Community (EC) Number: 258-945-1
• UNII: A3JA3W73XC
• DSSTox Substance ID: DTXSID4068905
• Nikkaji Number: J279.570A
• Wikidata: Q81995670
• Mol file: 54060-31-0.mol

Synonyms:1,3-Bis(3-nitrophenoxy)benzene;54060-31-0;Benzene, 1,3-bis(3-nitrophenoxy)-;EINECS 258-945-1;A3JA3W73XC;SCHEMBL6273333;1,3-Bis(m-nitrophenoxy)benzene;DTXSID4068905;1,3-bis-(3-Nitrophenoxy)benzene

Chemical Property of 1,3-Bis(3-nitrophenoxy)benzene

Chemical Property:

• Vapor Pressure: 2.91E-09mmHg at 25°C
• Boiling Point: 489.8°Cat760mmHg
• Flash Point: 202.2°C
• PSA: 110.10000
• Density: 1.385g/cm³
• LogP: 6.13400
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 352.06953611
• Heavy Atom Count: 26
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=CC(=CC=C2)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,3-Bis(3-nitrophenoxy)benzene

There total 4 articles about 1,3-Bis(3-nitrophenoxy)benzene 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: 91.2%

meta-dinitrobenzene (99-65-0) + recorcinol (108-46-3) → 1,3-bis(3-nitrophenoxy)benzene (54060-31-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; toluene; at 85 ℃; for 6h; Reagent/catalyst; Inert atmosphere;

Reference yield: 47.3%

m-nitrobromobenzene (585-79-5) + disodium resorcinolate (6025-45-2,35535-75-2,54494-87-0) → 1,3-bis(3-nitrophenoxy)benzene (54060-31-0)

Guidance literature:

copper(l) chloride; In pyridine; at 85 ℃; for 8h; Product distribution / selectivity; Heating / reflux;

Reference yield:

meta-nitrophenol (554-84-7) → 1,3-bis(3-nitrophenoxy)benzene (54060-31-0)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jo00039a015

upstream raw materials:

meta-nitrophenol

m-nitrobromobenzene

disodium resorcinolate

meta-dinitrobenzene

Downstream raw materials:

1,3-bis (3-aminophenoxy)-benzene