2,4-Difluoro-1-(4-nitrophenoxy)benzene

Base Information

• Chemical Name: 2,4-Difluoro-1-(4-nitrophenoxy)benzene
• CAS No.: 28280-37-7
• Molecular Formula: C12H7 F2 N O3
• Molecular Weight: 251.189
• DSSTox Substance ID: DTXSID40182531
• Wikidata: Q83053237
• ChEMBL ID: CHEMBL4787246
• Mol file: 28280-37-7.mol

Synonyms:2,4-Difluoro-1-(4-nitrophenoxy)benzene;28280-37-7;Benzene, 2,4-difluoro-1-(4-nitrophenoxy)-;CHEMBL4787246;SCHEMBL4373270;DTXSID40182531;BEVUWKGENAGXJN-UHFFFAOYSA-N;C12-H7-F2-N-O3;BDBM50559485;4-(2,4-Difluoro-phenoxy)-nitrobenzene;1-(2,4-difluorophenoxy)-4-nitrobenzene

Chemical Property of 2,4-Difluoro-1-(4-nitrophenoxy)benzene

Chemical Property:

• Vapor Pressure: 0.00298mmHg at 25°C
• Boiling Point: 293.7°Cat760mmHg
• Flash Point: 131.4°C
• PSA: 55.05000
• Density: 1.393g/cm³
• LogP: 4.18850
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 251.03939941
• Heavy Atom Count: 18
• Complexity: 290

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[N+](=O)[O-])OC2=C(C=C(C=C2)F)F

Technology Process of 2,4-Difluoro-1-(4-nitrophenoxy)benzene

There total 3 articles about 2,4-Difluoro-1-(4-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: 91.0%

2,4-difluorophenol (367-27-1) + 4-chlorobenzonitrile (100-00-5) → 2,4-difluoro-1-(4-nitrophenoxy)benzene (28280-37-7)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 195 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1021/jm100528p

Reference yield: 60.0%

2,4-difluorophenol (367-27-1) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 2,4-difluoro-1-(4-nitrophenoxy)benzene (28280-37-7)

Guidance literature:

With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 90 ℃; for 22h;

Reference yield:

→ 2,4-difluoro-1-(4-nitrophenoxy)benzene (28280-37-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

upstream raw materials:

2,4-difluorophenol

4-Fluoronitrobenzene

4-chlorobenzonitrile

Downstream raw materials:

4-(2,4-difluorophenoxy)aniline

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