buta-2,3-dien-2-yltrimethylsilane

• ChemBase ID: 146219
• Molecular Formular: C7H14Si
• Molecular Mass: 126.27156
• Monoisotopic Mass: 126.08647698
• SMILES: CC(=C=C)[Si](C)(C)C
• Canonical SMILES: C=C=C([Si](C)(C)C)C
• InChI: InChI=1S/C7H14Si/c1-6-7(2)8(3,4)5/h1H2,2-5H3
• InChIKey: BARFIQOXZWRCGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: buta-2,3-dien-2-yltrimethylsilane
• IUPAC Traditional name: buta-2,3-dien-2-yltrimethylsilane
• Synonyms: 3-(Trimethylsilyl)-1,2-butadiene; 3-(三甲基硅基)-1,2-丁二烯

Database IDs

• CAS Number: 74542-82-8
• MDL Number: MFCD01321223
• PubChem SID: 24865661; 162240418
• PubChem CID: 376772

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2562
• LogD (pH = 7.4): 2.2562
• Log P: 2.2562
• Molar Refractivity: 36.137 cm^3
• Polarizability: 15.79223 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 111-112 °C(lit.)
• Flash Point: 19.4 °F; -7 °C
• Density: 0.759 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)

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
• 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: 98%
• Linear Formula: H2C=C=C(CH3)Si(CH3)3

DETAILS

Sigma Aldrich - 409596

Packaging
1, 5 g in glass bottle