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| CAS No.: | 1025-15-6 |
|---|---|
| Name: | 1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione |
| Molecular Structure: | |
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|
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| 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: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 36/37/39 |
| Transport Information: | UN 2811 |
| PSA: | 66.00000 |
| LogP: | -0.27030 |
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| Conditions | Yield |
|---|---|
| With triphenylphosphine In 5,5-dimethyl-1,3-cyclohexadiene at 95℃; for 22h; Reagent/catalyst; Inert atmosphere; | 98.6% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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; |
- 1025-15-6
triallyl isocyanurate
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 5h; Heating; | 77% |
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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](/UserFilesUpload/Preparation of Triallyl isocyanurate.jpeg)
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. |