tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione

• ChemBase ID: 146045
• Molecular Formular: C21H45N3O12Si3
• Molecular Mass: 615.8514
• Monoisotopic Mass: 615.23110349
• SMILES: CO[Si](CCCn1c(=O)n(c(=O)n(c1=O)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
• Canonical SMILES: CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(c1=O)CCC[Si](OC)(OC)OC)(OC)OC
• InChI: InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3
• InChIKey: QWOVEJBDMKHZQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione
• IUPAC Traditional name: tris[3-(trimethoxysilyl)propyl]-1,3,5-triazinane-2,4,6-trione
• Synonyms: Tris[3-(trimethoxysilyl)propyl] isocyanurate; 1,3,5-三[3-(三甲氧基甲硅烷基)丙基]-1,3,5-三嗪-2,4,6(1H,3H,5H)-三酮

Database IDs

• CAS Number: 26115-70-8
• EC Number: 247-465-8
• MDL Number: MFCD00054746
• PubChem SID: 24867626; 162240244
• PubChem CID: 117734

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 1.3473
• LogD (pH = 7.4): 1.3473
• Log P: 1.3473
• Molar Refractivity: 127.8765 cm^3
• Polarizability: 57.76531 Å^3
• Polar Surface Area: 144.0 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 250 °C(lit.)
• Flash Point: 102 °C; 215.6 °F
• Density: 1.17 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.461(lit.)
• Viscosity: 350 cSt(lit.)

Safety Information

• RTECS: XZ2025000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/25-36/38
• Safety Statements: 26-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H331
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Grade: technical grade
• Empirical Formula (Hill Notation): C21H45N3O12Si3

DETAILS

Sigma Aldrich - 440825

Application
Adhesion promoter and cross-linking agent.Improves adhesion to PVC and a variety of substrates.
Packaging
100 mL in glass bottle