bromodimethylprop-2-en-1-ylsilane

• ChemBase ID: 138682
• Molecular Formular: C5H11BrSi
• Molecular Mass: 179.13034
• Monoisotopic Mass: 177.98133888
• SMILES: C[Si](C)(CC=C)Br
• Canonical SMILES: C=CC[Si](Br)(C)C
• InChI: InChI=1S/C5H11BrSi/c1-4-5-7(2,3)6/h4H,1,5H2,2-3H3
• InChIKey: TXEGFNIHBZYLTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromodimethylprop-2-en-1-ylsilane
• IUPAC Traditional name: bromodimethylprop-2-en-1-ylsilane
• Synonyms: Allylbromodimethylsilane; 烯丙基溴二甲基硅烷

Database IDs

• CAS Number: 302911-93-9
• MDL Number: MFCD01321235
• PubChem SID: 162232933; 24869186
• PubChem CID: 4438616

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0188
• LogD (pH = 7.4): 3.0188
• Log P: 3.0188
• Molar Refractivity: 35.2104 cm^3
• Polarizability: 15.318027 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130 °C(lit.)
• Density: 1.155 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.457(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3094
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 11-14-34
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 3094 8/PG 1

Product Information

• Purity: 95%
• Impurities: <3% diallyldimethylsilane
• Linear Formula: H2C=CHCH2Si(CH3)2Br

DETAILS

Sigma Aldrich - 456470

Packaging
5 mL in glass bottle