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40220-08-4

Basic Information
CAS No.: 40220-08-4
Name: ISOCYANURIC ACID TRIS(2-ACRYLOYLOXYETHYL) ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 40220-08-4 (ISOCYANURIC ACID TRIS(2-ACRYLOYLOXYETHYL) ESTER)
Formula: C18H21N3O9
Molecular Weight: 423.379
Synonyms: 2-Propenoicacid, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediylester (9CI);A 9300;Aronix M 315;CN 936;Ebecryl IRR 264;FA 731A;Fancryl FA731A;GX 8430;Genomer T 930;M 315;NK Ester A 9300;Newfrontier GX 8430;Newfrontier TEICA;SR 360;SR 368;Sartomer 368;Sartomer 369;Sartomer SR 368;THEICTA;Tris(2-acryloxyethyl) isocyanurate;Tris(2-hydroxyethyl) isocyanuratetriacrylate;Tris(2-hydroxyethyl)isocyanuric acid triacrylate;Tris(acryloyloxyethyl) isocyanurate;Tris(b-acryloyloxyethyl) isocyanurate;Tris[2-(acryloyloxy)ethyl] isocyanurate;
EINECS: 254-843-6
Density: 1.298 g/cm3
Melting Point: 52-53 °C(lit.)
Boiling Point: 568.258 ºC at 760 mmHg
Flash Point: 297.472 ºC
Solubility: 1.497g/L at 20.1℃
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 144.90000
LogP: -1.64070
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Specification

The 2-Propenoic acid,1,1',1''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl]ester, with its CAS registry number 40220-08-4, has the IUPAC name of 2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate. And its product categories are including Acrylic Monomers; Monomers; Polyfunctional Acrylics.

The characteristics of this chemical are as follows: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.864; (4)ACD/LogD (pH 7.4): 0.864; (5)ACD/BCF (pH 5.5): 2.671; (6)ACD/BCF (pH 7.4): 2.671; (7)ACD/KOC (pH 5.5): 70.315; (8)ACD/KOC (pH 7.4): 70.315; (9)#H bond acceptors: 12; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 139.83; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 99.102 cm3; (15)Molar Volume: 326.138 cm3; (16)Polarizability: 39.287×10-24 cm3; (17)Surface Tension: 48.356 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 297.472 °C; (20)Enthalpy of Vaporization: 85.284 kJ/mol; (21)Boiling Point: 568.258 °C at 760 mmHg; (22)Exact Mass: 423.127779 (23)MonoIsotopic Mass: 423.127779 (24)Topological Polar Surface Area: 140 (25)Heavy Atom Count: 30 (26)Complexity: 638.

When you are dealing with this chemical, you should be careful. This chemical is irritating to eyes, respiratory system and skin and may then cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C=CC(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOC(=O)C=C)CCOC(=O)C=C
(2)InChI: InChI=1S/C18H21N3O9/c1-4-13(22)28-10-7-19-16(25)20(8-11-29-14(23)5-2)18
(27)21(17(19)26)9-12-30-15(24)6-3/h4-6H,1-3,7-12H2
(3)InChIKey: YIJYFLXQHDOQGW-UHFFFAOYSA-N