2-chloro-1,1,1,3,3,3-hexaethyl-2-(triethylsilyl)trisilane

• ChemBase ID: 144462
• Molecular Formular: C18H45ClSi4
• Molecular Mass: 409.3449
• Monoisotopic Mass: 408.22868525
• SMILES: CC[Si](CC)(CC)[Si]([Si](CC)(CC)CC)([Si](CC)(CC)CC)Cl
• Canonical SMILES: CC[Si]([Si]([Si](CC)(CC)CC)([Si](CC)(CC)CC)Cl)(CC)CC
• InChI: InChI=1S/C18H45ClSi4/c1-10-20(11-2,12-3)23(19,21(13-4,14-5)15-6)22(16-7,17-8)18-9/h10-18H2,1-9H3
• InChIKey: PWDJKBJJIRTHAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,1,1,3,3,3-hexaethyl-2-(triethylsilyl)trisilane
• IUPAC Traditional name: 2-chloro-1,1,1,3,3,3-hexaethyl-2-(triethylsilyl)trisilane
• Synonyms: Supersilyl TES; Chlorotris(triethylsilyl)silane

Database IDs

• CAS Number: 30432-47-4
• MDL Number: MFCD18910706
• PubChem SID: 162238677
• PubChem CID: 71311088

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.0791
• LogD (pH = 7.4): 7.0791
• Log P: 7.0791
• Molar Refractivity: 100.6444 cm^3
• Polarizability: 47.414623 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 0.941 g/mL at 25 °C
• Refractive Index: n20/D 1.535

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Supplemental Hazard Statements: Contact with water liberates toxic gas.
• Storage Temperature: 2-8°C

Product Information

• Empirical Formula (Hill Notation): C18H45ClSi4

DETAILS

Sigma Aldrich - 736848

Packaging
1, 5 g in glass bottle