3-Bromo-4-methoxy-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-Bromo-4-methoxy-5-nitrobenzoic acid
• CAS No.: 954815-08-8
• Molecular Formula: C8H6BrNO5
• Molecular Weight: 276.043
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90589915
• Wikidata: Q82483555
• Mol file: 954815-08-8.mol

Synonyms:3-bromo-4-methoxy-5-nitrobenzoic acid;954815-08-8;3-Bromo-4-methoxy-5-nitro-benzoic acid;MFCD09881755;3-Bromo-4-methoxy-5-nitro-benzoicacid;3-Bromo-4-methoxy-5-nitro benzoicacid;DTXSID90589915;STK398959;AKOS000109364;AS-63104;SY066004;DB-339205;CS-0061914;W18027

Chemical Property of 3-Bromo-4-methoxy-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 4.06E-07mmHg at 25°C
• Boiling Point: 400°C at 760 mmHg
• Flash Point: 195.7°C
• PSA: 92.35000
• Density: 1.792g/cm³
• LogP: 2.58730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.94293
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-4-methoxy-5-nitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1Br)C(=O)O)[N+](=O)[O-]

Technology Process of 3-Bromo-4-methoxy-5-nitrobenzoic acid

There total 4 articles about 3-Bromo-4-methoxy-5-nitrobenzoic acid 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:

3-bromo-4-methoxybenzoic acid (99-58-1) + nitric acid (7697-37-2,78989-43-2) → 2-bromo-4-nitroanisole (5197-28-4) + 2-Bromo-4,6-dinitroanisole (36324-64-8) + 3-bromo-4-methoxy-5-nitro-benzoic acid (954815-08-8)

Guidance literature:

Reference yield:

3-bromo-4,4'-dimethoxy-benzophenone (104689-84-1) + nitric acid (7697-37-2,78989-43-2) → 2,4-dinitroanisole (119-27-7) + 3-bromo-4-methoxy-5-nitro-benzoic acid (954815-08-8) + 3-bromo-4,4'-dimethoxy-5,3',5'-trinitro-benzophenone

Guidance literature:

at -15 ℃;

Reference yield:

3-bromo-4,4'-dimethoxy-3'-nitro-benzophenone (860563-70-8) + nitric acid (7697-37-2,78989-43-2) → 2,4-dinitroanisole (119-27-7) + 3-bromo-4-methoxy-5-nitro-benzoic acid (954815-08-8) + 3-bromo-4,4'-dimethoxy-5,3',5'-trinitro-benzophenone

Guidance literature:

at -15 ℃;

upstream raw materials:

3-bromo-4-methoxybenzoic acid

nitric acid

3-bromo-4,4'-dimethoxy-benzophenone

3-bromo-4,4'-dimethoxy-3'-nitro-benzophenone

Downstream raw materials:

3-amino-4-methoxybenzoic acid