3,5-Dinitrosalicylic acid

Base Information

• Chemical Name: 3,5-Dinitrosalicylic acid
• CAS No.: 609-99-4
• Molecular Formula: C7H4 N2 O7
• Molecular Weight: 228.118
• Hs Code.: 29182990
• European Community (EC) Number: 210-204-3
• NSC Number: 181
• UNII: 2ACT5NW8HU
• DSSTox Substance ID: DTXSID9060576
• Nikkaji Number: J861.415F,J208.324H
• Wikipedia: 3,5-Dinitrosalicylic_acid
• Wikidata: Q223030
• Metabolomics Workbench ID: 52586
• ChEMBL ID: CHEMBL2260697
• Mol file: 609-99-4.mol

Synonyms:3,5-dinitrosalicylic acid;3,5-dinitrosalicylic acid, dilithium salt;3,5-dinitrosalicylic acid, dipotassium salt;3,5-dinitrosalicylic acid, monocesium salt;3,5-dinitrosalicylic acid, monolithium salt;3,5-dinitrosalicylic acid, monopotassium salt;3,5-dinitrosalicylic acid, monorubidium salt;3,5-dinitrosalicylic acid, monosodium salt

Chemical Property of 3,5-Dinitrosalicylic acid

Chemical Property:

• Appearance/Colour: Off-white crystals
• Vapor Pressure: 1.09E-06mmHg at 25°C
• Melting Point: 170 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 387.2 °C at 760 mmHg
• PKA: 1.57±0.10(Predicted)
• Flash Point: 173.8 °C
• PSA: 149.17000
• Density: 1.838 g/cm³
• LogP: 1.95320
• Storage Temp.: Refrigerator
• Solubility.: H2O: soluble50mg/mL
• Water Solubility.: soluble
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 228.00185047
• Heavy Atom Count: 16
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dinitrosalicylic acid 99+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrobenzoic Acids
• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)O)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 3,5-Dinitrosalicylic acid is a salicylic acid derivative used in colorimeteric determination of reducing sugars. 3,5-Dinitrosalicylic acid is used in the quantification of reducing sugars by colorimetry. It is utilized for the analysis of glycosidase (glycoside hydrolase) activity by quantitation of enzymatically released reducing sugar. It is also used to detect reducing substances in urine and for quantifying carbohydrate level in blood. It acts as an important raw material and an intermediate in the production of organic chemicals such as agrochemicals, organic synthesis, pharmaceuticals and dyes. 3,5-Dinitrosalicylic acid was used as a reagent for the preparation of oxazolines from amino alcohols and for the spectrophotometric determination of ampicillin. It was also used to measure the effects of silver nanoparticles on the membrane leakage of the reducing sugars.

Technology Process of 3,5-Dinitrosalicylic acid

There total 57 articles about 3,5-Dinitrosalicylic 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: 93.0%

2-chloro-3,5-dinitrobenzoic acid (2497-91-8) → 3,5-dinitrosalicylic acid (609-99-4)

Guidance literature:

With pyridine; copper; potassium carbonate; In water; for 2h; Heating;

DOI:10.1081/SCC-120004857

Reference yield: 93.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 3,5-dinitrosalicylic acid (609-99-4)

Guidance literature:

With sulfuric acid; nitric acid; In sulfuric acid; at 20 ℃; for 0.5h;

Reference yield: 77.0%

3,5-dinitro-2-(2-hydroxyethoxy)benzoic acid, methyl ester (102941-62-8) → 3,5-dinitrosalicylic acid (609-99-4)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃; for 0.5h;

DOI:10.1021/jo00365a031

upstream raw materials:

1-methyl-4-nitrosobenzene

2-amino-3,5-dinitro-benzoic acid

2-chloro-3,5-dinitrobenzoic acid

2-hydroxy-3,5-dinitro-benzoic acid-(4-nitro-phenyl ester)

Downstream raw materials:

2,4-Dinitrophenol

2-chloro-3,5-dinitrobenzoic acid

6-iodo-2,4-dinitrophenol

3-amino-5-nitrosalicylic acid

Refernces

• 1、 Srinivasan. "". . p. 2860. Retrieved 1965.
• 2、 -. "INHIBITORS OF STEAROYL-COA DESATURASE". . . Retrieved 2009/06/27.
• 3、 Bose, Ajay K.,Ganguly, Subhendu N.,Manhas, Maghar S.,He, William,Speck, Jeffrey. "Cold microwave chemistry: synthesis using pre-cooled reagents". . p. 3213 - 3215. Retrieved 2007/10/03.