3-Hydroxy-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-Hydroxy-5-nitrobenzoic acid
• CAS No.: 78238-14-9
• Molecular Formula: C7H5NO5
• Molecular Weight: 183.12
• Hs Code.: 2918290000
• European Community (EC) Number: 686-948-1
• DSSTox Substance ID: DTXSID50356201
• Wikidata: Q72480665
• Mol file: 78238-14-9.mol

Synonyms:3-hydroxy-5-nitrobenzoic acid;78238-14-9;MFCD01098212;3-hydroxy-5-nitro-benzoic acid;Benzoic acid, 3-hydroxy-5-nitro-;Oprea1_840893;AO-801/41077444;SCHEMBL417424;DTXSID50356201;3-Hydroxy-5-nitrobenzoic acid, 97%;AKOS000299824;AB08254;CS-16489;SY110661;CS-0098711;FT-0660269;EN300-95734;A839372;J-512640;Z1095353936

Chemical Property of 3-Hydroxy-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 6.27E-08mmHg at 25°C
• Melting Point: 190-195℃
• Refractive Index: 1.663
• Boiling Point: 423.5 °C at 760 mmHg
• PKA: 3.36±0.10(Predicted)
• Flash Point: 195.3 °C
• PSA: 103.35000
• Density: 1.631 g/cm³
• LogP: 1.52180
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 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

3-Hydroxy-5-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-5-nitrobenzoic acid

There total 8 articles about 3-Hydroxy-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: 95.0%

3-methoxy-5-nitrobenzoic acid (78238-12-7) → 3-hydroxy-5-nitrobenzoic acid (78238-14-9)

Guidance literature:

With hydrogen bromide; acetic acid; for 20h; Heating;

DOI:10.1021/ja051430y

Reference yield: 79.0%

3-methoxy-5-nitrobenzoic acid methyl ester (78238-13-8) → 3-hydroxy-5-nitrobenzoic acid (78238-14-9)

Guidance literature:

With hydrogen bromide; acetic acid; for 22h; Heating;

Reference yield: 46.0%

3-amino-5-nitro-benzoic acid (618-84-8) → 3-hydroxy-5-nitrobenzoic acid (78238-14-9)

Guidance literature:

3-amino-5-nitro-benzoic acid; With sulfuric acid; sodium nitrite; In water; at 0 ℃;

With copper(I) oxide; copper(II) nitrate trihydrate; water; at 20 ℃; for 0.0333333h;

DOI:10.1002/chem.201001560

upstream raw materials:

3-amino-5-nitro-benzoic acid

3-methoxy-5-nitrobenzoic acid methyl ester

3-methoxy-5-nitrobenzoic acid

3,5-dinitrobenzoic acid

Downstream raw materials:

3-Bromomethyl-5-nitro-phenol

3-Benzenesulfonylmethyl-5-nitro-phenol

(3-benzenesulfonylmethyl-5-tert-butyldiphenylsilyloxy)aniline

(3-Benzenesulfonylmethyl-5-nitro-phenoxy)-tert-butyl-diphenyl-silane