Basic information
- Name:
Triallyl isocyanurate
- CAS No.:
1025-15-6
- Molecular Structure:
- Formula:
- C12H15N3O3
- Molecular Weight:
- 249.27
- Deleted CAS:
- 109521-50-8| 123339-46-8| 196519-94-5
- 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
- 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
- Transport Information:
- UN 2811
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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. |