1-Bromo-4,5-dimethoxy-2-nitrobenzene

Base Information

• Chemical Name: 1-Bromo-4,5-dimethoxy-2-nitrobenzene
• CAS No.: 51072-66-3
• Molecular Formula: C8H8BrNO4
• Molecular Weight: 262.06
• Hs Code.: 2909309090
• European Community (EC) Number: 256-951-9
• UNII: UNB5D5EU7U
• DSSTox Substance ID: DTXSID9068615
• Nikkaji Number: J261.629G
• Wikidata: Q72448830
• Mol file: 51072-66-3.mol

Synonyms:1-Bromo-4,5-dimethoxy-2-nitrobenzene;51072-66-3;4-Bromo-5-nitroveratrole;Benzene, 1-bromo-4,5-dimethoxy-2-nitro-;C8H8BrNO4;UNB5D5EU7U;1-Bromo-4,5-dimethoxy-2-nitro-benzene;2-Bromo-4,5-dimethoxynitrobenzene;EINECS 256-951-9;UNII-UNB5D5EU7U;ghl.PD_Mitscher_leg0.927;SCHEMBL228990;DTXSID9068615;3,4-Dimethoxy-6-nitro-bromobenzene;BBL002625;MFCD00047665;STK295318;AKOS000298477;VERATROLE, 4-BROMO-5-NITRO-;1,2-Dimethoxy-4-bromo-5-nitrobenzene;FS-4026;BB 0244873;CS-0238045;FT-0639964;1-Bromo-4,5-dimethoxy-2-nitrobenzene, 99%;F83162;EN300-1893503;A871382

Chemical Property of 1-Bromo-4,5-dimethoxy-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000776mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 316.1 °C at 760 mmHg
• Flash Point: 145 °C
• PSA: 64.28000
• Density: 1.583 g/cm³
• LogP: 2.89770
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 260.96367
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-4,5-dimethoxy-2-nitrobenzene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-4,5-dimethoxy-2-nitrobenzene

There total 15 articles about 1-Bromo-4,5-dimethoxy-2-nitrobenzene 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: 95.0%

4-Bromoveratrole (2859-78-1) → 1-bromo-4,5-dimethoxy-2-nitro-benzene (51072-66-3)

Guidance literature:

With nitric acid; at -8 - -4 ℃; for 0.333333h;

DOI:10.1080/00397911.2013.771403

Reference yield: 76.0%

bromoveratrole → 1-bromo-4,5-dimethoxy-2-nitro-benzene (51072-66-3)

Guidance literature:

With nitric acid; In acetic acid; at -6 - 20 ℃;

DOI:10.1021/ja0288993

Reference yield: 63.0%

4,5-dimethoxy-2-nitro-benzoic acid (4998-07-6) → 1-bromo-4,5-dimethoxy-2-nitro-benzene (51072-66-3)

Guidance literature:

With oxygen; silver carbonate; potassium hydroxide; copper(ll) bromide; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 130 - 140 ℃;

DOI:10.1016/j.tetlet.2010.10.054

upstream raw materials:

4-Bromoveratrole

2-bromo-4,5-dimethoxybenzoic acid

4-bromo-2-methoxy-5-nitro-phenol

dimethyl sulfate

Downstream raw materials:

4-(4,5-dimethoxy-2-nitro-phenyl)morpholine

bis-(4,5-dimethoxy-2-nitro-phenyl)-sulfide

bis-(4,5-dimethoxy-2-nitro-phenyl)-disulfane

4,5-dimethoxy-2-nitrodiphenylamine