5-Nitrobarbituric acid

Base Information

• Chemical Name: 5-Nitrobarbituric acid
• CAS No.: 480-68-2
• Deprecated CAS: 104390-34-3,28176-10-5,106351-49-9,408326-79-4,443922-47-2,506429-09-0,654052-69-4,882755-36-4,1071306-40-5,106351-49-9,28176-10-5,408326-79-4,443922-47-2,506429-09-0,654052-69-4,882755-36-4
• Molecular Formula: C4H3 N3 O5
• Molecular Weight: 173.085
• Hs Code.: 2933540000
• European Community (EC) Number: 207-557-0
• NSC Number: 5071
• UNII: 8WZ923176V
• DSSTox Substance ID: DTXSID0060062
• Nikkaji Number: J6.169G
• Wikidata: Q27271144
• ChEMBL ID: CHEMBL112392
• Mol file: 480-68-2.mol

Synonyms:5-nitrobarbituric acid;dilituric acid

Chemical Property of 5-Nitrobarbituric acid

Chemical Property:

• Melting Point: 180.5°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: -1.70±0.20(Predicted)
• Flash Point: °C
• PSA: 121.09000
• Density: 1.79g/cm³
• LogP: -0.82150
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 173.00727020
• Heavy Atom Count: 12
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

5-NitrobarbituricAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-]
• Uses: Microreagent for potassium.

Technology Process of 5-Nitrobarbituric acid

There total 14 articles about 5-Nitrobarbituric 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: 100.0%

BARBITURIC ACID (67-52-7,944357-77-1) → dilituric acid (480-68-2,1071306-40-5)

Guidance literature:

With Nitrogen dioxide; for 4h; under 225.02 Torr;

DOI:10.1021/jo00122a031

Reference yield:

5-bromo-5-nitrobarbituric acid (73730-97-9) + water (7732-18-5) → bromopicrin (464-10-8) + dilituric acid (480-68-2,1071306-40-5) + urea (57-13-6)

Guidance literature:

Reference yield:

anthracene (120-12-7) → dilituric acid (480-68-2,1071306-40-5) + 9-nitroanthrone (6313-44-6) + 9,10-phenanthrenequinone (84-65-1) + 9-Nitro-10-nitroso-9,10-dihydro-anthracene

Guidance literature:

With Nitrogen dioxide; at 25 ℃; for 3h; under 225.02 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00122a031

upstream raw materials:

BARBITURIC ACID

violuric acid

[5,5']bipyrimidinyl-2,4,6,2',4',6'-hexaone

anthracene

Downstream raw materials:

2,4,6-trichloro-5-nitropyrimidine

5-bromo-5-nitrobarbituric acid

uramil

5-chloro-5-nitrobarbituric acid

Refernces

• 1、 Langlet, Abraham,Latypov, Nikolaj V.,Wellmar, Ulf,Goede, Patrick,Bergman, Jan. "Synthesis and reactions of 5,5-dinitrobarbituric acid". . p. 2011 - 2013. Retrieved 2007/10/03.