4-Bromo-2-nitroanisole

Base Information

• Chemical Name: 4-Bromo-2-nitroanisole
• CAS No.: 33696-00-3
• Molecular Formula: C7H6BrNO3
• Molecular Weight: 232.034
• Hs Code.: 2909309090
• European Community (EC) Number: 251-642-5
• DSSTox Substance ID: DTXSID30187378
• Nikkaji Number: J308.523F
• Wikidata: Q72446273
• Mol file: 33696-00-3.mol

Synonyms:4-Bromo-2-nitroanisole;33696-00-3;4-bromo-1-methoxy-2-nitrobenzene;2-methoxy-5-bromonitrobenzene;Benzene, 4-bromo-1-methoxy-2-nitro-;EINECS 251-642-5;MFCD00055529;4-bromo-2-nitro anisole;1-Methoxy-2-nitro-4-bromobenzene;4-Brom-2-nitroanisol;4-Bromo-2-nitroanisol;4-bromo-2-nitro-anisole;SCHEMBL311157;4-Bromo-2-nitroanisole, 97%;SCHEMBL12992617;DTXSID30187378;1-bromo-4-methoxy-3-nitro-benzene;4-Bromo-1-methoxy-2-nitro-benzene;AKOS000265435;4-bromo-1-(methyloxy)-2-nitrobenzene;CS-W009144;PS-4746;AM808248;SY016996;B4010;FT-0600889;EN300-160502;AN-584/43409808;J-514558;W-202382

Chemical Property of 4-Bromo-2-nitroanisole

Chemical Property:

• Vapor Pressure: 0.00168mmHg at 25°C
• Melting Point: 87 °C
• Refractive Index: 1.581
• Boiling Point: 303.3 °C at 760 mmHg
• Flash Point: 137.2 °C
• PSA: 55.05000
• Density: 1.64 g/cm³
• LogP: 2.88910
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.95311
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Technology Process of 4-Bromo-2-nitroanisole

There total 23 articles about 4-Bromo-2-nitroanisole 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: 100.0%

4-bromo-2-nitrophenol (7693-52-9) + dimethyl sulfate (77-78-1) → 4-bromo-1-methoxy-2-nitrobenzene (33696-00-3)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 2.5h;

DOI:10.1021/jacs.9b01002

Reference yield: 97.0%

4-bromo-2-nitrophenol (7693-52-9) + methyl iodide (74-88-4) → 4-bromo-1-methoxy-2-nitrobenzene (33696-00-3)

Guidance literature:

With potassium carbonate; In acetone;

Reference yield: 95.0%

2-Nitroanisole (91-23-6) → 4-bromo-1-methoxy-2-nitrobenzene (33696-00-3)

Guidance literature:

With N-Bromosuccinimide; iodine; In acetonitrile; at 50 ℃; for 48h; Darkness;

DOI:10.1016/j.tet.2017.10.073

upstream raw materials:

1-bromo-4-methoxy-benzene

2-Nitroanisole

1,4-dibromo-2-nitrobenzene

sodium methylate

Downstream raw materials:

bis-(5-bromo-2-methoxy-phenyl)-diazene-N-oxide

5-bromo-2-methoxyaniline

4-bromo-2,6-dinitroanisole

N-(5-bromo-2-methoxyphenyl)acetamide