2,4-Dinitro-1-phenoxybenzene

Base Information

• Chemical Name: 2,4-Dinitro-1-phenoxybenzene
• CAS No.: 2486-07-9
• Molecular Formula: C12H8 N2 O5
• Molecular Weight: 260.206
• Hs Code.: 2909309090
• European Community (EC) Number: 219-627-8
• NSC Number: 10864
• DSSTox Substance ID: DTXSID20179560
• Nikkaji Number: J31.997J
• Wikidata: Q83050094
• Mol file: 2486-07-9.mol

Synonyms:2,4-Dinitro-1-phenoxybenzene;Benzene, 2,4-dinitro-1-phenoxy-;2,4-Dinitrophenyl phenyl ether;2486-07-9;Phenyl 2,4-dinitrophenyl ether;Ether, 2,4-dinitrophenyl phenyl;EINECS 219-627-8;BRN 1888234;AI3-16480;Ether,4-dinitrophenyl phenyl;1-phenoxy-2,4-dinitrobenzene;1,3-Dinitro-4-phenoxybenzene;Benzene,4-dinitro-1-phenoxy-;SCHEMBL7813399;2,4-dinitro-1-phenoxy-benzene;DTXSID20179560;NSC10864;NSC 10864;NSC-10864;AKOS003238402;LS-29912;4-06-00-01375 (Beilstein Handbook Reference)

Chemical Property of 2,4-Dinitro-1-phenoxybenzene

Chemical Property:

• Vapor Pressure: 4.16E-05mmHg at 25°C
• Melting Point: 71°C
• Refractive Index: 1.6360 (estimate)
• Boiling Point: 362°Cat760mmHg
• Flash Point: 158.3°C
• PSA: 100.87000
• Density: 1.416g/cm³
• LogP: 4.34170
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 260.04332136
• Heavy Atom Count: 19
• Complexity: 332

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dinitro-1-phenoxybenzene

There total 21 articles about 2,4-Dinitro-1-phenoxybenzene 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: 95.0%

2,4-Dinitrophenol (51-28-5) + iodobenzene (591-50-4) → 2,4-dinitrophenyl phenyl ether (2486-07-9)

Guidance literature:

With sodium hydroxide; In neat (no solvent); at 90 ℃; for 6h; Green chemistry;

DOI:10.1007/s10562-019-03070-5

Reference yield: 95.0%

1-chloro-2,4-dinitro-benzene (97-00-7) + phenol (108-95-2,27073-41-2) → 2,4-dinitrophenyl phenyl ether (2486-07-9)

Guidance literature:

With potassium hydroxide; Aliquat; at 20 ℃; for 0.5h; Product distribution; other halogenonitrobenzenes and halogenobenzenes and other arylhalides; other tetraalkylammonium salt , other solid bases; other nucleophiles; var. temp. and time;

Reference yield: 95.0%

sodium phenoxide (139-02-6) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 2,4-dinitrophenyl phenyl ether (2486-07-9)

Guidance literature:

With octane; water; <2-n-tridecyl(1,3-dioxolan-4-yl)methyl>trimethylammonium bromide; butan-1-ol; at 50 ℃; for 0.5h;

upstream raw materials:

pyridine

2,4-dinitrophenyl 4-methylbenzenesulfonate

2,4-dinitrobromobenzene

potassium phenolate

Downstream raw materials:

1-(2,4-dinitrophenyl)piperidine

2-(2,4-dinitrophenyl)-3-oxobutyric acid ethyl ester

(2,4-dinitro-phenyl)-(4-nitro-phenyl)-ether

4-bromo-2',4'-dinitro-diphenyl ether

Refernces

• 1、 Joo, Seong-Ryu,Kim, Seung-Hoi,Kwon, Gyu-Tae,Park, Soo-Youl. "Choline Hydroxide as a Versatile Medium for Catalyst-Free O-Functionalization of Phenols". . p. 1200 - 1205. Retrieved 2020/11/30.
• 2、 -. "A 2, 4 - dinitro-phenyl ether compounds and the use thereof". Paragraph 0027-0029. . Retrieved 2018/07/30.