trichloro[2-(trichlorosilyl)ethyl]silane

• ChemBase ID: 145674
• Molecular Formular: C2H4Cl6Si2
• Molecular Mass: 296.94216
• Monoisotopic Mass: 293.79826927
• SMILES: C(C[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](CC[Si](Cl)(Cl)Cl)(Cl)Cl
• InChI: InChI=1S/C2H4Cl6Si2/c3-9(4,5)1-2-10(6,7)8/h1-2H2
• InChIKey: WDVUXWDZTPZIIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro[2-(trichlorosilyl)ethyl]silane
• IUPAC Traditional name: trichloro[2-(trichlorosilyl)ethyl]silane
• Synonyms: 1,1,1,4,4,4-Hexachlorodisilethylene; 1,2-Bis(trichlorosilyl)ethane; 1,1,1,4,4,4-六氯二甲硅基乙烯; 1,2-二(三氯甲硅烷基)乙烷

Database IDs

• CAS Number: 2504-64-5
• EC Number: 219-710-9
• MDL Number: MFCD00013601
• Beilstein Number: 1753707
• PubChem SID: 162239878; 24868315
• PubChem CID: 75631

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6818
• LogD (pH = 7.4): 3.6818
• Log P: 3.6818
• Molar Refractivity: 45.747 cm^3
• Polarizability: 21.847559 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 27-29 °C(lit.)
• Boiling Point: 202 °C(lit.)
• Flash Point: 149 °F; 65 °C
• Density: 1.483 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.475(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-35
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2987 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: Cl3SiCH2CH2SiCl3

DETAILS

Sigma Aldrich - 447048

Packaging
5 mL in glass bottle