2-chloro-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane

• ChemBase ID: 143066
• Molecular Formular: C9H27ClSi4
• Molecular Mass: 283.10568
• Monoisotopic Mass: 282.08783467
• SMILES: C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)Cl
• Canonical SMILES: Cl[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C9H27ClSi4/c1-11(2,3)14(10,12(4,5)6)13(7,8)9/h1-9H3
• InChIKey: HCOROOJWVHFMRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane
• IUPAC Traditional name: 2-chloro-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane
• Synonyms: Chlorotris(trimethylsilyl)silane; Chlorotris(trimethylsilyl)silane solution; 氯三(三甲基甲硅烷基)硅烷; 氯三(三甲基甲硅烷基)硅烷 溶液

Database IDs

• CAS Number: 5565-32-2
• MDL Number: MFCD01321222
• PubChem SID: 24865643; 162237289
• PubChem CID: 4641097

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3134
• LogD (pH = 7.4): 4.3134
• Log P: 4.3134
• Molar Refractivity: 58.1572 cm^3
• Polarizability: 30.844532 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-52 °C(lit.)
• Flash Point: 10 °C; 31 °C; 50 °F; 87.8 °F
• Density: 0.877 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi); Harmful (Xn)
• UN Number: 2924; 3132
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2
• Risk Statements: 11-29-36/37/38; 63-11-29-36/37/38-48/20-65-67
• Safety Statements: 16-26-36/37-62; 7/8-16-26-36/37-43-MissingPhraseText-N15.00511280
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H319-H335 + H336-H361d-H373; H228-H261-H315-H319-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P305 + P351 + P338-P422; P210-P261-P281-P301 + P310-P305 + P351 + P338-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, 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 2924 3/PG 2; UN 3132 4.3
• Supplemental Hazard Statements: Contact with water liberates toxic gas.

Product Information

• Purity: 97%
• Concentration: 50 wt. % in toluene
• Linear Formula: [(CH3)3Si]3SiCl
• Empirical Formula (Hill Notation): C9H27ClSi4

DETAILS

Sigma Aldrich - 409405

Packaging
10, 25 g in poly bottle
Application
Super Silyl Protecting GroupsUsed for:
• Insertion into a P-P bond1
• Diastereoselective aldol and cascade reactions2
• Preparation of hypersilyl substituted monophosphines and diphosphines3

Sigma Aldrich - 706523

Packaging
10 mL in glass bottle