chloro[2-(chlorodimethylsilyl)ethyl]dimethylsilane

• ChemBase ID: 149330
• Molecular Formular: C6H16Cl2Si2
• Molecular Mass: 215.26824
• Monoisotopic Mass: 214.01675894
• SMILES: C[Si](C)(CC[Si](C)(C)Cl)Cl
• Canonical SMILES: C[Si](CC[Si](Cl)(C)C)(Cl)C
• InChI: InChI=1S/C6H16Cl2Si2/c1-9(2,7)5-6-10(3,4)8/h5-6H2,1-4H3
• InChIKey: VGQOKOYKFDUPPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[2-(chlorodimethylsilyl)ethyl]dimethylsilane
• IUPAC Traditional name: chloro[2-(chlorodimethylsilyl)ethyl]dimethylsilane
• Synonyms: 1,1,4,4-Tetramethyl-1,4-dichloro-disilethylene; 2,5-Dichloro-2,5-dimethyl-2,5-disilahexane; 1,2-Bis(chlorodimethylsilyl)ethane; 1,1,4,4-Tetramethyl-1,4-dichlorodisilethylene; 1,1,4,4-四甲基-1,4-二氯乙烯乙硅烷; 2,5-二氯-2,5-二甲基-2,5-二硅杂己烷; 1,2-双(氯二甲基硅基)乙烷; 1,2-双(氯二甲硅基)-乙烷

Database IDs

• CAS Number: 13528-93-3
• EC Number: 236-871-0
• MDL Number: MFCD00000505
• Beilstein Number: 1920141
• PubChem SID: 24856248; 162243497
• PubChem CID: 83552

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3782
• LogD (pH = 7.4): 3.3782
• Log P: 3.3782
• Molar Refractivity: 45.1494 cm^3
• Polarizability: 21.31136 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34-40°C; 35-38 °C; 35-38 °C(lit.)
• Boiling Point: 198 °C/734 mmHg(lit.); 198-200°C
• Flash Point: 149 °F; 65 °C; 65°C(149°F)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45; 26-28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 3261 8/PG 2

Product Information

• Purity: ≥97.0% (AT); 96%; tech. 90%
• Grade: purum
• Linear Formula: [-CH2Si(CH3)2Cl]2

DETAILS

Sigma Aldrich - 267880

Packaging
25 g in glass bottle

Sigma Aldrich - 14640

Other Notes
Reagent for the protection of primary amines as "stabase adducts" 1,2,3; Reagent used in the zinc-mediated dicarbonyl coupling4