2-Methyl-3-nitro-1-benzofuran

Base Information

• Chemical Name: 2-Methyl-3-nitro-1-benzofuran
• CAS No.: 28439-73-8
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.159
• NSC Number: 131140
• DSSTox Substance ID: DTXSID00299518
• Wikidata: Q82041972
• ChEMBL ID: CHEMBL3272371

Synonyms:2-methyl-3-nitro-1-benzofuran;28439-73-8;2-Methyl-3-nitrobenzofuran;NSC131140;SCHEMBL9503619;CHEMBL3272371;DTXSID00299518;NSC-131140

Chemical Property of 2-Methyl-3-nitro-1-benzofuran

Chemical Property:

• Vapor Pressure: 0.00444mmHg at 25°C
• Boiling Point: 286.9°Cat760mmHg
• Flash Point: 127.3°C
• Density: 1.317g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2O1)[N+](=O)[O-]

Technology Process of 2-Methyl-3-nitro-1-benzofuran

There total 2 articles about 2-Methyl-3-nitro-1-benzofuran 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: 45.0%

2-methylbenzofuran (4265-25-2) → methyl-2 nitro-3 benzofuranne (28439-73-8) + 6-nitro-2-methylbenzofuran (87977-31-9)

Guidance literature:

With nitric acid; tin(IV) chloride; In dichloromethane; at -50 ℃; for 0.25h;

Reference yield:

→ methyl-2 nitro-3 benzofuranne (28439-73-8)

Guidance literature:

2-Methylbenzofuran 20, HNO3;

DOI:10.1021/jm00300a020

upstream raw materials:

2-methylbenzofuran

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