26028-46-6

Basic information

• Product Name: 1,3,5-triacetylhexahydro-1,3,5-triazine
• Synonyms: 1,3,5-triacetylhexahydro-1,3,5-triazine;1,3,5-triacetyl-1,3,5-triazinane;1,1',1''-(1,3,5-triazinane-1,3,5-triyl)triethanone
• CAS NO: 26028-46-6
• Molecular Formula: C₉H₁₅N₃O₃
• Molecular Weight: 213.2337
• EINECS: 247-418-1
• Mol File: 26028-46-6.mol
• Article Data: 5

Chemical Properties

• Melting Point: 96-98 °C
• Boiling Point: 488.6°C at 760 mmHg
• Flash Point: 251.1°C
• Appearance: /
• Density: 1.229g/cm³
• Vapor Pressure: 1.08E-09mmHg at 25°C
• Refractive Index: 1.513
• PKA: -0.82±0.20(Predicted)
• CAS DataBase Reference: 1,3,5-triacetylhexahydro-1,3,5-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-triacetylhexahydro-1,3,5-triazine(26028-46-6)
• EPA Substance Registry System: 1,3,5-triacetylhexahydro-1,3,5-triazine(26028-46-6)

Safety Data

• Hazardous Substances Data: 26028-46-6(Hazardous Substances Data)

Usage

General Description

1,3,5-triacetylhexahydro-1,3,5-triazine is a chemical compound primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is a white crystalline solid with a molecular formula of C9H15N3O3 and a molecular weight of 213.23 g/mol. 1,3,5-triacetylhexahydro-1,3,5-triazine is known for its ability to form stable complexes with metal ions, making it useful in metal extraction processes and as a chelating agent in chemical reactions. It is also used as a building block in the production of heterocyclic compounds and as a stabilizer in the rubber industry. While it has no reported hazards for human health or the environment, it is important to handle this compound with proper safety precautions due to its potential for irritant and allergic reactions.

InChI:InChI=1/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3

Upstream product

• 110-88-3 1,3,5-Trioxan 
• 75-05-8 acetonitrile 
• 100-97-0 hexamethylenetetramine 
• 108-24-7 acetic anhydride 
• 50-00-0 formaldehyd 

Downstream Products

• 115340-24-4 (acetylaminomethyl)(phenyl)phosphine oxide 
• 115340-25-5 (acetylaminomethyl)(aminomethyl)(phenyl)phosphine oxide 
• 1066-51-9 Aminomethylphosphonic acid 
• 57637-97-5 N-acetylaminomethylphosphonic acid 
• 14168-42-4 1-acetylhexahydro-3,5-dinitro-1,3,5-triazine 
• 121-82-4 Hexahydro-1,3,5-trinitro-1,3,5-triazine 

Relevant articles and documents

Investigation of the solubility of octahydro-1,3,5,7-tetranitro-1,3,5,7- tetrazocine and 1,3,5-triacetyl-hexahydro-s-triazine

Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (TAT) was produced by condensation of acetonitrile and trioxane as a low cost precursor for the production of 1,3,5,7-tetranitro-octahydro-1,3,5,7-tetrazocine (HMX). However, 1,3,5-triacetyl-hexahydro-s-triazine (TRAT) was also produced as a byproduct. To develop an efficient and economical method for the separation of TAT and TRAT, the solubilities of TAT and TRAT in ethyl acetate, methanol, acetonitrile and deionized water were investigated at temperatures between 298 K and 318 K. TAT was found to be relative insoluble in ethyl acetate with a maximum solubility of about 0.0295 mol/kg ethyl acetate at 318 K, which was an order of magnitude lower than that of TRAT (0.371 mol/kg ethyl acetate). TRAT was also relatively insoluble in water (0.712 mol/kg water). Accordingly, a method for the separation of TAT and TRAT based on recrystallization in ethyl acetate and precipitation by deionized water was developed. TAT was recrystallized from ethyl acetate with a purity of 97.9 %, and TRAT was recovered from the ethyl acetate filtrate by addition of water with a purity of 98.9 %.

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Reactions of amidosulfuric acid salts with formaldehyde

Potassium amidosulfate reacts with formaldehyde at pH 7-12 to afford a mixture of dipotassium 4-hydroxy-1,3-diazabutane-1,3-disulfonate hydrate and tripotassium 6-hydroxy-1,3,5-triazahexane-1,3,5-trisulfonate HO(CH2NSO3K)n·H2O (n = 2, 3). The reaction of the same compounds at pH 1-3 gives diammonium 1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-disulfonic acid sulfate dihydrate.