(2-bromoethenyl)trimethylsilane

• ChemBase ID: 146262
• Molecular Formular: C5H11BrSi
• Molecular Mass: 179.13034
• Monoisotopic Mass: 177.98133888
• SMILES: C[Si](C)(C)/C=C/Br
• Canonical SMILES: Br/C=C/[Si](C)(C)C
• InChI: InChI=1S/C5H11BrSi/c1-7(2,3)5-4-6/h4-5H,1-3H3
• InChIKey: FKXCNOSKBLGEMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethenyl)trimethylsilane
• IUPAC Traditional name: (2-bromoethenyl)trimethylsilane
• Synonyms: β-(Trimethylsilyl)vinyl bromide; 1-Bromo-2-(trimethylsilyl)ethylene; (2-Bromovinyl)trimethylsilane; β-(三甲基硅烷基)乙烯基溴; 1-溴-2-(三甲基硅基)乙烯; (2-溴乙烯基)三甲基硅烷

Database IDs

• CAS Number: 41309-43-7
• MDL Number: MFCD00040824
• Beilstein Number: 1700085
• PubChem SID: 24851245; 24862134; 162240461
• PubChem CID: 5373891

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1826
• LogD (pH = 7.4): 3.1826
• Log P: 3.1826
• Molar Refractivity: 33.7492 cm^3
• Polarizability: 15.346756 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50-51 °C/52 mmHg(lit.)
• Flash Point: 29 °C; 84.2 °F
• Density: 1.167 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.466; n20/D 1.466(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
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ~87% (trans + ~13% cis); 98%
• Grade: purum
• Linear Formula: BrCH=CHSi(CH3)3

DETAILS

Sigma Aldrich - 359998

Packaging
5 mL in glass bottle

Sigma Aldrich - 18697

Other Notes
Starting material for the synthesis of various vinyl silanes [via the lithium, zinc or magnesium (Grignard) derivative or the cuprate]1,2,3; Synthesis of (E)-1,2-bis(trimethylsilyl)ethylene4