Methyl 4-bromo-2-nitrobenzoate

Base Information

• Chemical Name: Methyl 4-bromo-2-nitrobenzoate
• CAS No.: 158580-57-5
• Molecular Formula: C8H6BrNO4
• Molecular Weight: 260.044
• Hs Code.: 2916399090
• European Community (EC) Number: 801-977-3
• DSSTox Substance ID: DTXSID60592996
• Wikidata: Q82487369
• Mol file: 158580-57-5.mol

Synonyms:METHYL 4-BROMO-2-NITROBENZOATE;158580-57-5;Benzoic acid, 4-bromo-2-nitro-, methyl ester;MFCD10699645;SCHEMBL1318248;AMY3847;DTXSID60592996;Methyl 4-bromo-2-nitro-benzoate;YTWDMAAPIWOIFZ-UHFFFAOYSA-N;METHYL4-BROMO-2-NITROBENZOATE;AKOS015835505;CS-W022847;SB12305;DS-15660;SY010725;4-Bromo-2-nitro-benzoic acid methyl ester;DB-370882;EN300-3266223;A883416

Chemical Property of Methyl 4-bromo-2-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.0002mmHg at 25°C
• Boiling Point: 327.6oC at 760 mmHg
• Flash Point: 151.9oC
• PSA: 72.12000
• Density: 1.673g/cm3
• LogP: 2.66710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.94802
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-bromo-2-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-bromo-2-nitrobenzoate

There total 5 articles about Methyl 4-bromo-2-nitrobenzoate 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%

methanol (67-56-1) + 4-bromo-2-nitrobenzoic acid (99277-71-1) → methyl 4-bromo-2-nitrobenzoate (158580-57-5)

Guidance literature:

With sulfuric acid; at 100 ℃;

Reference yield: 97.0%

4-bromo-2-nitrobenzoic acid (99277-71-1) + methyl iodide (74-88-4) → methyl 4-bromo-2-nitrobenzoate (158580-57-5)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield: 75.0%

→ methyl 4-bromo-2-nitrobenzoate (158580-57-5)

Guidance literature:

With bromine; dibromoisocyanuric acid; In dichloromethane; at 20 ℃; for 24h; UV-irradiation;

upstream raw materials:

4-bromo-2-nitrobenzoic acid

methyl iodide

methanol

dimethyl sulfate

Downstream raw materials:

3-nitrobiphenyl-4-carboxylic acid

2-amino-4-bromo-benzoic acid methyl ester

methyl 4-methoxy-2-nitrobenzoate

methyl 4-bromo-1H-indole-7-carboxylate