(1-chloroethyl)trimethylsilane

• ChemBase ID: 152775
• Molecular Formular: C5H13ClSi
• Molecular Mass: 136.69522
• Monoisotopic Mass: 136.04750463
• SMILES: CC([Si](C)(C)C)Cl
• Canonical SMILES: CC([Si](C)(C)C)Cl
• InChI: InChI=1S/C5H13ClSi/c1-5(6)7(2,3)4/h5H,1-4H3
• InChIKey: UWJVDEZZIPJQRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-chloroethyl)trimethylsilane
• IUPAC Traditional name: (1-chloroethyl)trimethylsilane
• Synonyms: (1-Chloroethyl)trimethylsilane; (1-氯乙基)三甲基硅烷

Database IDs

• CAS Number: 7787-87-3
• EC Number: 232-135-8
• MDL Number: MFCD00042611
• Beilstein Number: 1732094
• PubChem SID: 24853831; 162246918
• PubChem CID: 111035

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.052
• LogD (pH = 7.4): 3.052
• Log P: 3.052
• Molar Refractivity: 31.4325 cm^3
• Polarizability: 14.690658 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 116 °C(lit.)
• Flash Point: 13 °C; 55.4 °F
• Density: 0.864 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.422

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-23-24/25
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• 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 2

Product Information

• Purity: ≥90% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C5H13ClSi

DETAILS

Sigma Aldrich - 23070

Other Notes
Treating this chlorosilane with sec-BuLi gives 1-chloro-1-trimethylsilylethyl lithium which reacts with aldehydes and ketones to form methyl ketones via an intermediate α,β-epoxysilane.; Used in an efficient synthesis of R(+)-frontalin1,2; The Grignard reagent is useful for many reactions3,4,5
Packaging
5 mL in glass bottle