2-Nitrobenzofuran

Base Information

• Chemical Name: 2-Nitrobenzofuran
• CAS No.: 33094-66-5
• Molecular Formula: C8H5 N O3
• Molecular Weight: 163.133
• Hs Code.: 2932999099
• NSC Number: 170697
• DSSTox Substance ID: DTXSID80186750
• Nikkaji Number: J76.299G
• Wikidata: Q83058126
• ChEMBL ID: CHEMBL7438
• Mol file: 33094-66-5.mol

Synonyms:2-nitrobenzofuran

Chemical Property of 2-Nitrobenzofuran

Chemical Property:

• Vapor Pressure: 0.01mmHg at 25°C
• Melting Point: 134°C
• Refractive Index: 1.5160 (estimate)
• Boiling Point: 273.1°Cat760mmHg
• Flash Point: 119°C
• PSA: 58.96000
• Density: 1.38g/cm³
• LogP: 2.86420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.026943022
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

2-Nitrobenzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitrobenzofuran

There total 3 articles about 2-Nitrobenzofuran 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: 33.0%

Benzofuran-2-carboxylic acid (496-41-3) → 2-nitro-benzofuran (33094-66-5) + 6-nitro-1-benzofuran-2-carboxylic acid (64209-68-3) + 5-nitrobenzofuran-2-carboxylic acid (10242-12-3)

Guidance literature:

With nitric acid; tin(IV) chloride; In dichloromethane; at 0 ℃; for 2h;

Reference yield: 2.0%

1-(benzo[b]furan-2-yl)ethanone (1646-26-0) → 2-nitro-benzofuran (33094-66-5) + 1-(6-nitrobenzofuran-2-yl)ethan-1-one (36739-81-8) + 2-acetyl-5-nitrobenzofuran (23136-39-2) + 1-(4-Nitro-benzofuran-2-yl)-ethanone (69603-98-1)

Guidance literature:

With nitric acid; tin(IV) chloride; In dichloromethane; at 0 ℃; for 4h;

Reference yield:

1-benzofurane (271-89-6) + dinitrogen tetraoxide (10544-72-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-nitrobenzofuran (75420-78-9) + 2-nitro-benzofuran (33094-66-5) + salicylic acid (69-72-7,25496-36-0,8052-31-1)

Guidance literature:

upstream raw materials:

1-(benzo[b]furan-2-yl)ethanone

Benzofuran-2-carboxylic acid

1-benzofurane

dinitrogen tetraoxide

Downstream raw materials:

salicylic acid

2-Hydroxyphenylacetic acid

Refernces