3-Nitrodibenzofuran

Base Information

• Chemical Name: 3-Nitrodibenzofuran
• CAS No.: 5410-97-9
• Molecular Formula: C12H7NO3
• Molecular Weight: 213.19
• Hs Code.: 2932999099
• European Community (EC) Number: 659-730-9
• NSC Number: 10862
• DSSTox Substance ID: DTXSID00202446
• Nikkaji Number: J129.132G
• Wikidata: Q72494617
• ChEMBL ID: CHEMBL1402914
• Mol file: 5410-97-9.mol

Synonyms:3-nitrodibenzofuran

Chemical Property of 3-Nitrodibenzofuran

Chemical Property:

• Vapor Pressure: 1.26E-05mmHg at 25°C
• Melting Point: 181.5°C
• Refractive Index: 1.729
• Boiling Point: 379.6 °C at 760 mmHg
• Flash Point: 183.4 °C
• PSA: 58.96000
• Density: 1.399 g/cm³
• LogP: 4.01740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 213.042593085
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Nitrodibenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)[N+](=O)[O-]

Technology Process of 3-Nitrodibenzofuran

There total 34 articles about 3-Nitrodibenzofuran 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: 94.0%

N-bromosuccinamide + 3-aminodibenzofuran (4106-66-5) → 3-nitrodibenzofuran (5410-97-9)

Guidance literature:

In dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

Reference yield: 90.0%

dibenzofuran (132-64-9,214827-48-2) → 3-nitrodibenzofuran (5410-97-9)

Guidance literature:

With nitric acid; trifluoroacetic acid; at 0 ℃; for 2h; Cooling with ice;

Reference yield: 90.0%

4-nitrophenyl 2-(allyloxy)benzoate (65103-30-2) → 3-nitrodibenzofuran (5410-97-9)

Guidance literature:

at 650 ℃; under 0.001 Torr;

DOI:10.1039/c39900000395

upstream raw materials:

dibenzofuran

3-nitro-dibenzofuran-2-carboxylic acid

7-nitro-dibenzofuran-4-carboxylic acid

1-amino-2-phenoxy-4-nitrobenzene

Downstream raw materials:

2,7-dinitrodibenzofuran

3-bromodibenzofuran

2,4-dibromodibenzofuran-3-amine

dibenzo[b,d]furan-3-carboxylic acid

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