2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane

• ChemBase ID: 147999
• Molecular Formular: C6H21N3Si3
• Molecular Mass: 219.50754
• Monoisotopic Mass: 219.10432728
• SMILES: C[Si]1(N[Si](N[Si](N1)(C)C)(C)C)C
• Canonical SMILES: C[Si]1(C)N[Si](C)(C)N[Si](N1)(C)C
• InChI: InChI=1S/C6H21N3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H,1-6H3
• InChIKey: WGGNJZRNHUJNEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane
• IUPAC Traditional name: 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane
• Synonyms: 2,2,4,4,6,6-Hexamethylcyclotrisilazane; 2,2,4,4,6,6-六甲基环三硅氮烷

Database IDs

• CAS Number: 1009-93-4
• EC Number: 213-773-6
• MDL Number: MFCD00039698
• Beilstein Number: 774739
• PubChem SID: 162242179; 24863418
• PubChem CID: 66094

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -10.1033325
• LogD (pH = 7.4): -7.1141815
• Log P: -0.3753
• Molar Refractivity: 77.4189 cm^3
• Polarizability: 24.430855 Å^3
• Polar Surface Area: 36.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -10 °C(lit.)
• Boiling Point: 188 °C/756 mmHg(lit.)
• Flash Point: 138.2 °F; 59 °C
• Density: 0.92 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)

Safety Information

• RTECS: GZ4720000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H21N3Si3

DETAILS

Sigma Aldrich - 376043

Packaging
1, 10 mL in glass bottle