(1-bromoethenyl)trimethylsilane

• ChemBase ID: 145322
• Molecular Formular: C5H11BrSi
• Molecular Mass: 179.13034
• Monoisotopic Mass: 177.98133888
• SMILES: C[Si](C)(C)C(=C)Br
• Canonical SMILES: BrC(=C)[Si](C)(C)C
• InChI: InChI=1S/C5H11BrSi/c1-5(6)7(2,3)4/h1H2,2-4H3
• InChIKey: VVDJVCJVVHHCIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-bromoethenyl)trimethylsilane
• IUPAC Traditional name: (1-bromoethenyl)trimethylsilane
• Synonyms: α-(Trimethylsilyl)vinyl bromide; (1-Bromovinyl)trimethylsilane; α-(三甲基硅烷基)乙烯基溴; (1-溴乙烯基)三甲基硅烷

Database IDs

• CAS Number: 13683-41-5
• EC Number: 237-195-9
• MDL Number: MFCD00014927
• Beilstein Number: 1742258
• PubChem SID: 162239528; 24851244; 24860146
• PubChem CID: 83660

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8203
• LogD (pH = 7.4): 3.8203
• Log P: 3.8203
• Molar Refractivity: 42.9566 cm^3
• Polarizability: 15.346209 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 124 °C/745 mmHg(lit.)
• Flash Point: 13 °C; 55.4 °F
• Density: 1.156 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.458(lit.); n20/D 1.459
• Vapor Density: >1 (vs air)

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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 97%
• Grade: purum
• Linear Formula: H2C=C(Br)Si(CH3)3

DETAILS

Sigma Aldrich - 333557

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 18695

Other Notes
Starting material for the synthesis of α-substituted vinyl silanes 1,2; Starting material for the preparation of methyl α-trimethylsilylvinyl ketones 3