2,4,6-triethenyl-2,4,6-trimethyl-1,3,5,2,4,6-triazatrisilinane

• ChemBase ID: 152242
• Molecular Formular: C9H21N3Si3
• Molecular Mass: 255.53964
• Monoisotopic Mass: 255.10432728
• SMILES: C[Si]1(N[Si](N[Si](N1)(C)C=C)(C)C=C)C=C
• Canonical SMILES: C=C[Si]1(C)N[Si](C)(C=C)N[Si](N1)(C)C=C
• InChI: InChI=1S/C9H21N3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-12H,1-3H2,4-6H3
• InChIKey: RFSBGZWBVNPVNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-triethenyl-2,4,6-trimethyl-1,3,5,2,4,6-triazatrisilinane
• IUPAC Traditional name: 2,4,6-triethenyl-2,4,6-trimethyl-1,3,5,2,4,6-triazatrisilinane
• Synonyms: 2,4,6-Trimethyl-2,4,6-trivinylcyclotrisilazane; 三乙烯基三甲基环三硅氮烷

Database IDs

• CAS Number: 5505-72-6
• EC Number: 226-848-3
• MDL Number: MFCD00054934
• Beilstein Number: 2055568
• PubChem SID: 162246387
• PubChem CID: 79644

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -8.088689
• LogD (pH = 7.4): -5.5262585
• Log P: 2.0379
• Molar Refractivity: 88.0287 cm^3
• Polarizability: 29.235035 Å^3
• Polar Surface Area: 36.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 185 °F; 85 °C
• Density: 0.964 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.482

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 3

Product Information

• Purity: ≥90%
• Grade: technical
• Empirical Formula (Hill Notation): C9H21N3Si3