1,3,5-Triazinane-2,4-dione

Base Information

• Chemical Name: 1,3,5-Triazinane-2,4-dione
• CAS No.: 27032-78-6
• Molecular Formula: C3H5 N3 O2
• Molecular Weight: 115.092
• Hs Code.: 2933699090
• European Community (EC) Number: 248-178-0
• NSC Number: 119749
• UNII: 8F9SNY1M73
• DSSTox Substance ID: DTXSID10181516
• Nikkaji Number: J227.566J
• Wikidata: Q72472814
• ChEMBL ID: CHEMBL208992
• Mol file: 27032-78-6.mol

Synonyms:2,4-dioxo-hexahydro-triazine;2,4-dioxohexahydro-1,3,5-triazine;5-azadihydrouracil;dioxohexahydrotriazine

Chemical Property of 1,3,5-Triazinane-2,4-dione

Chemical Property:

• Melting Point: >290 °C (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• PKA: 9.47±0.20(Predicted)
• Flash Point: °C
• PSA: 70.23000
• Density: 1.314g/cm³
• LogP: -0.04730
• Water Solubility.: soluble in Solution of sodium hydroxide in water
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.038176411
• Heavy Atom Count: 8
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dioxohexahydro-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1NC(=O)NC(=O)N1

Technology Process of 1,3,5-Triazinane-2,4-dione

There total 5 articles about 1,3,5-Triazinane-2,4-dione 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:

Allantoxaidin (71-33-0) → 2,4-dioxohexahydro-1,3,5-triazine (27032-78-6)

Guidance literature:

With ethanol; nickel; at 100 ℃; under 36775.4 Torr; Hydrogenation;

Reference yield:

→ 2,4-dioxohexahydro-1,3,5-triazine (27032-78-6)

Guidance literature:

With hydrogenchloride;

Reference yield:

C3H5N3O2(1-) → 2,4-dioxohexahydro-1,3,5-triazine (27032-78-6)

Guidance literature:

With Paraquat; In water; pH=6; Kinetics;

DOI:10.1021/jf061916d

upstream raw materials:

Allantoxaidin

water

Downstream raw materials:

trimethylsilyl isocyanate

bis(trimethylsilyl)carbodi-imide

1-trimethylsilyl-2,4-bis-(trimethylsiloxyl)-1,6-dihydro-1,3,5-triazine