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1025-15-6

Basic Information
CAS No.: 1025-15-6
Name: Triallyl isocyanurate
Article Data: 38
Cas Database
Molecular Structure:
Molecular Structure of 1025-15-6 (Triallyl isocyanurate)
Formula: C12H15N3O3
Molecular Weight: 249.269
Synonyms: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3,5-tri-2-propenyl- (9CI);s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triallyl-(8CI);s-Triazine-2,4,6(1H,3H,5H)-trione, triallyl- (6CI,7CI);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-Triallylisocyanurate;1,3,5-Triallylisocyanuric acid;1,3,5-Tris-2'-propenylisocyanuric acid;Drimix TAIC;Isocyanuricacid triallyl ester;NSC11692;Nor-TAIC KS;Perkalink 301;Perkalink 301-50;SR 533;1,3,5-triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propen-1-yl-;
EINECS: 213-834-7
Density: 1.15 g/cm3
Melting Point: 23.5 - 25oC
Boiling Point: 315.2 °C at 760 mmHg
Flash Point: 153.4 °C
Solubility: > 1 g/L in water at 20 °C
Appearance: colourless viscous liquid or white powder
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36/37/39
Transport Information: UN 2811
PSA: 66.00000
LogP: -0.27030
Synthetic route
108-80-5

cyanuric acid

107-18-6

allyl alcohol

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With triphenylphosphine In 5,5-dimethyl-1,3-cyclohexadiene at 95℃; for 22h; Reagent/catalyst; Inert atmosphere;98.6%
1476-23-9

allylisocyanate

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With 1,3-bis(2,6-diisopropylphenyl)dihydroimidazol-2-ylidene at 20℃; for 1h;98%
With tetraethylammonium 2-(carbamoyl)benzoate at 50℃; for 6h; Neat (no solvent);95%
With 1,3-dimethyl-4,5-diphenyl-2-(propan-2-ylidene)-2,3-dihydro-1H-imidazole; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃; for 48h; Inert atmosphere; Glovebox;89%
106-95-6

allyl bromide

108-80-5

isocyanuric acid

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
Stage #1: isocyanuric acid With tetrabutylammomium bromide; triethylamine; copper(l) chloride In 1,2-dichloro-ethane at 80℃; Large scale;
Stage #2: allyl bromide In 1,2-dichloro-ethane at 80℃; for 6.5h; Temperature; Large scale;
93.2%
4873-09-0

allyl tosylate

917-61-3

sodium isocyanate

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 20 - 60℃; for 4.17h; Solvent; Reagent/catalyst; Green chemistry;93%
101-37-1

triallyl cyanurate

A

2916-14-5

allyl chloroacetate

B

6294-79-7

1,3-diallyl-[1,3,5]triazinane-2,4,6-trione

C

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With chloroacetic acid In toluene for 2h; Heating; Yields of byproduct given;A n/a
B 91.5%
C n/a
With chloroacetic acid In toluene for 2h; Heating; Yield given. Yields of byproduct given;
542-75-6

E/Z-1,3-Dichloropropene

917-61-3

sodium isocyanate

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With calcium chloride; potassium bromide In N,N-dimethyl-formamide at 120℃;91%
With calcium chloride; potassium bromide In N,N-dimethyl-formamide at 120℃; Product distribution / selectivity;
101-37-1

triallyl cyanurate

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
copper(II) chloride hydrate In xylene at 120℃; for 2h;90%
With copper(II) choride dihydrate In 5,5-dimethyl-1,3-cyclohexadiene at 65 - 75℃; Inert atmosphere;90%
copper dichloride In toluene at 113 - 140℃; under 1.50015 - 2.25023 Torr; Product distribution / selectivity;
101-37-1

triallyl cyanurate

A

591-87-7

Allyl acetate

B

6294-79-7

1,3-diallyl-[1,3,5]triazinane-2,4,6-trione

C

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With acetic acid In toluene for 2h; Heating; Yields of byproduct given;A n/a
B 85%
C n/a
With acetic acid In toluene for 2h; Heating; Yield given. Yields of byproduct given;
101-37-1

triallyl cyanurate

A

557-40-4

Allyl ether

B

6294-79-7

1,3-diallyl-[1,3,5]triazinane-2,4,6-trione

C

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With allyl alcohol In toluene for 2h; Heating; Yields of byproduct given;A n/a
B 81.5%
C n/a
With allyl alcohol In toluene for 2h; Heating; Yield given. Yields of byproduct given;

1,3,5-Triallyl-[1,3,5]triazinane-2,4,6-triylidenetriamine

1025-15-6

triallyl isocyanurate

Conditions
ConditionsYield
With hydrogenchloride In water for 5h; Heating;77%
Downstream Products
1476-23-9
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    Product Name: 1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione CAS: 1025-15-6 MF: C12H15N3O3 MW: 249.27 Mol File: 1025-15-6.mol 1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Structure 1,3,5-Tri-2-propenyl-1,3,5

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  • Triallyl isocyanurate CAS NO.1025-15-6

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    Triallyl isocyanurate CAS NO.1025-15-6

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Specification

The Triallyl isocyanurate, with the CAS registry number 1025-15-6, is also known as 1,3,5-Triallylisocyanurate. It belongs to the product categories of Allyl Monomers; Monomers; Polymer Science. Its EINECS number is 213-834-7. This chemical's molecular formula is C12H15N3O3 and molecular weight is 249.27. What's more, its systematic name is 1,3,5-tri(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione. Its classification code is Mutation data. It is stable at common pressure and temperature, and it should be sealed and stored at the temperature of 2 - 8 °C. Moreover, it should be protected from oxides. You should not breathe dust. It is used as an assistant-vulcanizing agent of special rubber and a cross-linking agent of unsaturated polyester fiberglass-reinforced plastics.

Physical properties of Triallyl isocyanurate are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.87; (8)ACD/KOC (pH 7.4): 13.87; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 60.93 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 65.98 cm3; (15)Molar Volume: 216.6 cm3; (16)Polarizability: 26.15×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 55.64 kJ/mol; (21)Boiling Point: 315.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000445 mmHg at 25°C.

Preparation of Triallyl isocyanurate: this chemical can be prepared by 1,3,5-triallyl-[1,3,5]triazinane-2,4,6-triylidenetriamine by heating. This reaction will need reagent conc. HCl and solvent H2O with the reaction time of 5 hours. The yield is about 77%.

Triallyl isocyanurate can be prepared by 1,3,5-triallyl-[1,3,5]triazinane-2,4,6-triylidenetriamine by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(=O)N(C(=O)N1C\C=C)C\C=C)C\C=C
(2)Std. InChI: 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
(3)Std. InChIKey: KOMNUTZXSVSERR-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. OTS0536507.