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1025-15-6

1025-15-6 Structure

1025-15-6 Structure
IdentificationMore
[Name]

1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
[CAS]

1025-15-6
[Synonyms]

1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-TRIALLYL-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
1,3,5-TRIALLYL ISOCYANURATE
1,3,5-Triallylisocyanuric acid
ISOCYANURIC ACID TRIALLYL ESTER
LABOTEST-BB LT00138128
TAIC
TRIALLYL-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
TRIALLYL ISOCYANURATE
TRIALLYL-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
TRIALLYL-SYM-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE
1,3,5-Triallyl-1,3,5-triazinane-2,4,6-trione
1,3,5-Triallyl-S-triazine-2,4,6(1H,3H,5H)-trione
3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tri-2-propenyl-1
5-triazine-2,4,6(1h,3h,5h)-trione,1,3,5-tri-2-propenyl-3
6(1h,3h,5h)-trione,1,3,5-triallyl-s-triazine-4
6(1h,3h,5h)-trione,triallyl-s-triazine-4
Diak 7
diak7
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triallyl-
[EINECS(EC#)]

213-834-7
[Molecular Formula]

C12H15N3O3
[MDL Number]

MFCD00006554
[Molecular Weight]

249.27
[MOL File]

1025-15-6.mol
Chemical PropertiesBack Directory
[Appearance]

colourless viscous liquid or white powder
[Melting point ]

20.5°C
[Boiling point ]

149-152 °C4 mm Hg(lit.)
[density ]

1.159 g/mL at 25 °C(lit.)
[vapor pressure ]

3.5 hPa (143 °C)
[refractive index ]

n20/D 1.513(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

3.7g/l
[form ]

Liquid After Melting
[pka]

-2.33±0.20(Predicted)
[color ]

Clear colorless to yellow
[Stability:]

May be prone to spontaneous polymerization. Commercial product is generally supllied with added stabilizer such as t-butylhydroquinone. Incompatible with peroxides, strong oxidizing agents, strong acids, strong bases.
[Water Solubility ]

> 1 g/L (20 ºC)
[BRN ]

225482
[InChI]

1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
[InChIKey]

KOMNUTZXSVSERR-UHFFFAOYSA-N
[SMILES]

C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O
[LogP]

1.92 at 25℃
[CAS DataBase Reference]

1025-15-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-(1025-15-6)
[EPA Substance Registry System]

1025-15-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H373
[Precautionary statements ]

P260-P264-P270-P301+P312-P314-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

36/37/39
[WGK Germany ]

1
[RTECS ]

XZ1915000
[F ]

10
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2929109000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
STOT RE 2
[Toxicity]

LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rat 2480 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cyanuric acid-->2,4,6-Triallyloxy-1,3,5-triazi-->Cyanuric acid trisodium salt-->1,3-Dichloropropene-->Sodium cyanate-->Allyl bromide-->allyl methanesulfonate-->Allyl alcohol-->Triphenylphosphine-->1,3-Cyclohexadiene, 5,5-dimethyl-
[Preparation Products]

1,3-bis(oxiranylmethyl)-5-(2-propenyl)-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione-->Hexahydro-1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6-trione-->1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-oxiranylMethyl)-3,5-di-2-propen-1-yl-
Hazard InformationBack Directory
[General Description]

White crystalline solid.
[Reactivity Profile]

Isocyanates and thioisocyanates, such as TRIALLYL ISOCYANURATE(1025-15-6), are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

This chemical is probably combustible.
[Chemical Properties]

colourless viscous liquid or white powder
[Uses]

crosslinking accelerator agent for peroxide
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 59, p. 4931, 1994 DOI: 10.1021/jo00096a041
[Flammability and Explosibility]

Nonflammable
[Synthesis]

Cyanuric acid

108-80-5

Allyl alcohol

107-18-6

1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

1025-15-6

6.45 g (50 mmol) of cyanuric acid, 670 mg (2.5 mmol) of triphenylphosphine (as an organophosphorus compound) and 25.8 g of xylene (as a solvent) were added to the reaction vessel. Under nitrogen protection, 266 mg of palladium-loaded activated carbon catalyst (trade name E101 NE/W, manufactured by Evonik Degussa Co., Ltd. which is a mixture of zero-valent metallic palladium and divalent palladium compounds with activated carbon in terms of palladium atoms) was added. The mixture was stirred at 95°C for 1 hour. Subsequently, 13.1 g (225 mmol) of propenol (as an allyl-type alcohol) was added slowly and dropwise over 1 h. The reaction lasted for 20 h, during which xylene, propenol, and generated water were removed by azeotropic distillation through a Dean-Stark apparatus. Upon completion of the reaction, the insoluble material was removed by filtration. Analysis of the filtrate showed 98.6% triallyl isocyanurate and 1.4% diallyl isocyanurate in the product based on the conversion of cyanuric acid, and no monoallyl isocyanurate generation was detected.

[References]

[1] Patent: JP6288459, 2018, B2. Location in patent: Paragraph 0018; 0022; 0026-0029; 0031-0032; 0034-0035; 0037
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6)MS
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6)1HNMR
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6)13CNMR
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6)IR1
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6)IR2
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6)IR3
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione(1025-15-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Triallyl-s-triazine-2,4,6(1H,3H,5H)-trione, Stabilized, 98%(1025-15-6)
[Sigma Aldrich]

1025-15-6(sigmaaldrich)
[TCI AMERICA]

Triallyl Isocyanurate  (stabilized with BHT),>96.0%(GC)(1025-15-6)
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