tris(prop-2-en-1-yloxy)-1,3,5-triazine

• ChemBase ID: 111430
• Molecular Formular: C12H15N3O3
• Molecular Mass: 249.2658
• Monoisotopic Mass: 249.11134136
• SMILES: C=CCOc1nc(OCC=C)nc(OCC=C)n1
• Canonical SMILES: C=CCOc1nc(OCC=C)nc(n1)OCC=C
• InChI: InChI=1S/C12H15N3O3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-6H,1-3,7-9H2
• InChIKey: BJELTSYBAHKXRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(prop-2-en-1-yloxy)-1,3,5-triazine
• IUPAC Traditional name: tris(prop-2-en-1-yloxy)-1,3,5-triazine
• Synonyms: TRIALLYL CYANURATE; Triallyl cyanurate; 2,4,6-Triallyloxy-1,3,5-triazine; Cyanuric acid triallyl ester; 2,4,6-Tris(allyloxy)-1,3,5-triazine; 三烯丙基氰尿酸酯; 2,4,6-三烯丙氧基-1,3,5-三嗪; 2,4,6-三(烯丙氧基)-1,3,5-三嗪

Database IDs

• CAS Number: 101-37-1
• EC Number: 202-936-7
• MDL Number: MFCD00006049
• Beilstein Number: 235560
• PubChem SID: 24857438; 162096776
• PubChem CID: 7555

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.6128259
• LogD (pH = 7.4): 3.6128259
• Log P: 3.6128259
• Molar Refractivity: 69.2373 cm^3
• Polarizability: 25.580029 Å^3
• Polar Surface Area: 66.36 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 25-28°C; 26-27 °C
• Boiling Point: 149-150°C/4mm; 156 °C
• Flash Point: 113 °C; 166°C(331°F); 235.4 °F
• Density: 1.11; 1.11 g/mL at 30 °C

Safety Information

• RTECS: XZ2080000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 3077; UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 20/22-36/37/38-51/53; 22-51/53; R:22
• Safety Statements: 26-36/37-57; 36-61; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H332-H315-H319-H335-H411-H401; H302-H411
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P273
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%; 98%, stab. with 100ppm hydroquinone
• Empirical Formula (Hill Notation): C12H15N3O3

DETAILS

Sigma Aldrich - 291609

Packaging
100, 500 g in poly bottle