[chloro(trimethylsilyl)methyl]trimethylsilane

• ChemBase ID: 149532
• Molecular Formular: C7H19ClSi2
• Molecular Mass: 194.84976
• Monoisotopic Mass: 194.07138135
• SMILES: C[Si](C)(C)C([Si](C)(C)C)Cl
• Canonical SMILES: ClC([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C7H19ClSi2/c1-9(2,3)7(8)10(4,5)6/h7H,1-6H3
• InChIKey: XNJGZHVYPBNLEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [chloro(trimethylsilyl)methyl]trimethylsilane
• IUPAC Traditional name: [chloro(trimethylsilyl)methyl]trimethylsilane
• Synonyms: Bis(trimethylsilyl)chloromethane; Chlorobis(trimethylsilyl)methane; 双(三甲基甲硅烷基)氯甲烷; 二(三甲基硅基)氯甲烷

Database IDs

• CAS Number: 5926-35-2
• MDL Number: MFCD00054866
• Beilstein Number: 1736681
• PubChem SID: 24862252; 162243697; 24849212
• PubChem CID: 552583

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.7183
• LogD (pH = 7.4): 5.7183
• Log P: 5.7183
• Molar Refractivity: 42.3631 cm^3
• Polarizability: 21.303816 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 57-60 °C/15 mmHg(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 0.892 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.449; n20/D 1.449(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-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
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: [(CH3)3Si]2CHCl

DETAILS

Sigma Aldrich - 361747

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 15221

Other Notes
Versatile silylated C1-building block; the carbanion reacts with chlorophosphines to bis(TMS)methylene-phosphines1,2; Substitution reactions with nucleophiles3