4-Hydroxy-3,5-dinitrobenzoic acid

Base Information

• Chemical Name: 4-Hydroxy-3,5-dinitrobenzoic acid
• CAS No.: 1019-52-9
• Molecular Formula: C7H4 N2 O7
• Molecular Weight: 228.118
• Hs Code.: 2918290000
• European Community (EC) Number: 213-814-8
• UNII: 8H7CH6XVL8
• DSSTox Substance ID: DTXSID30144325
• Nikkaji Number: J217.143K
• Wikidata: Q83008508
• Mol file: 1019-52-9.mol

Synonyms:4-Hydroxy-3,5-dinitrobenzoic acid;1019-52-9;3,5-Dinitro-4-hydroxybenzoic acid;Benzoic acid, 4-hydroxy-3,5-dinitro-;8H7CH6XVL8;41430-25-5;3 5-Dinitro-4-Hydroxybenzoic Acid;EINECS 213-814-8;UNII-8H7CH6XVL8;SCHEMBL503443;DTXSID30144325;4-hydroxy-3,5-dinitro-benzoic acid;MFCD00017000;STK370820;4-Hydroxy-3,5-dinitrobenzoic acid #;AKOS000482900;AS-62934;4-Hydroxy-3,5-dinitrobenzoic acid, 98+%;CS-0321528;FT-0614711;AG-205/03640024

Chemical Property of 4-Hydroxy-3,5-dinitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.76E-05mmHg at 25°C
• Melting Point: 245 °C (dec.)(lit.)
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 349.4°Cat760mmHg
• PKA: 2.02±0.10(Predicted)
• Flash Point: 155.7°C
• PSA: 149.17000
• Density: 1.838g/cm³
• LogP: 1.95320
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 228.00185047
• Heavy Atom Count: 16
• Complexity: 296

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Dinitro-4-hydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O
• Uses: 3,5-Dinitro-4-hydroxybenzoic Acid is used in preparation of benzamide derivatives as corticotropin releasing factor receptor antagonists.

Technology Process of 4-Hydroxy-3,5-dinitrobenzoic acid

There total 55 articles about 4-Hydroxy-3,5-dinitrobenzoic 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: 91.7%

4-hydroxy-benzoic acid (99-96-7) → 4-hydroxy-3,5-dinitrobenzoic acid (1019-52-9)

Guidance literature:

In conc. nitric acid; sulfuric acid; water;

Reference yield: 10.0%

C17H20NO3 (124558-31-2) → 4-hydroxy-3,5-dinitrobenzoic acid (1019-52-9) + 2,5-Dihydro-3-<3-(4-hydroxy-3-nitrophenyl)-3-oxo-1-propenyl>-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxyl radical (124558-44-7) + 2,5-Dihydro-3-<3-(4-hydroxy-3,5-dinitrophenyl)-3-oxo-1-propenyl>-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxyl radical (124558-45-8)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 3h;

DOI:10.1055/s-1989-27306

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 4-bromo-3,5-dinitrobenzoic acid (577-52-6) → 2,6-dinitrophenol (573-56-8) + 4-hydroxy-3,5-dinitrobenzoic acid (1019-52-9)

Guidance literature:

at 200 ℃; im geschlossenen Rohr;

upstream raw materials:

vitexin

4-bromo-3,5-dinitrobenzoic acid

4-amino-3,5-dinitrobenzoic acid

α,α,α-Trifluoro-2,6-dinitro-p-cresol

Downstream raw materials:

4-hydroxy-3,5-dinitro-benzoic acid propyl ester

4-amino-3,5-dinitrobenzamide

3-amino-4-hydroxy-5-nitro-benzoic acid

3-amino-4-hydroxy-5-nitro-benzoic acid methyl ester

Refernces

• 1、 Salkowski. "-". . p. 349. Retrieved 1909.
• 2、 -. "NOVEL WATER SOLUBLE POLYIMIDE RESIN, ITS PREPARATION AND USE". . . Retrieved 2011/08/03.
• 3、 Broxton, Trevor J.. "Micellar ctalysis of organic reactions. XXXVIII:. A study of the catalytic effect of micelles of 3-hydroxymethyl-1-tetradecylpyridinium bromide on amide hydrolysis and nucleophilic aromatic substitution". . p. 541 - 543. Retrieved 2007/10/03.