2-Hydroxy-6-nitrobenzoic acid

Base Information

• Chemical Name: 2-Hydroxy-6-nitrobenzoic acid
• CAS No.: 601-99-0
• Molecular Formula: C7H5NO5
• Molecular Weight: 183.12
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID20565828
• Nikkaji Number: J95.685F
• Wikidata: Q82451119
• Mol file: 601-99-0.mol

Synonyms:2-Hydroxy-6-nitrobenzoic acid;601-99-0;MFCD00031281;6-nitrosalicylic acid;Benzoic acid, 2-hydroxy-6-nitro-;2-Hydroxy-6-nitrobenzoicAcid;6-Nitrosalicylsaure;SCHEMBL4962627;DTXSID20565828;QICHZWUWPVMQTD-UHFFFAOYSA-N;AKOS016001311;CS-W002157;AC-29456;DS-16546;SY028710

Chemical Property of 2-Hydroxy-6-nitrobenzoic acid

Chemical Property:

• Melting Point: 145 °C
• Boiling Point: 370.6±37.0 °C(Predicted)
• PKA: pK1:2.24 (25°C)
• PSA: 103.35000
• Density: 1.631±0.06 g/cm3(Predicted)
• LogP: 1.52180
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 183.01677226
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

2-Hydroxy-6-nitrobenzoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-6-nitrobenzoic acid

There total 10 articles about 2-Hydroxy-6-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:

ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 2-hydroxy-6-nitrobenzoic acid (601-99-0) + 2-hydroxynitrobenzene (88-75-5,78813-12-4)

Guidance literature:

With [Fe(II)(N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)-1,2-ethylenediamine)(CH₃CN)2](ClO₄)2; dihydrogen peroxide; In water; acetonitrile; at 20 ℃; Inert atmosphere;

DOI:10.1002/chem.200901296

Reference yield:

5-nitro-1,3-benzodioxane (50603-42-4) → 2-hydroxy-6-nitrobenzoic acid (601-99-0)

Guidance literature:

With chromium(VI) oxide; acetic acid;

Reference yield:

2-hydroxy-6-nitrobenzonitrile (72106-43-5) → 2-hydroxy-6-nitrobenzoic acid (601-99-0)

Guidance literature:

With sulfuric acid;

upstream raw materials:

5-nitro-1,3-benzodioxane

2-hydroxy-6-nitrobenzonitrile

2-bromo-6-nitrobenzoic acid

2-(2,4-dinitro-phenoxy)-6-nitro-benzoic acid

Downstream raw materials:

2-amino-5-hydroxybenzoic acid

2-nitro-6-methoxybenzoic acid

4-(2-hydroxy-6-nitro-benzoyl)-morpholine