(2-bromoprop-2-en-1-yl)trimethylsilane

• ChemBase ID: 145332
• Molecular Formular: C6H13BrSi
• Molecular Mass: 193.15692
• Monoisotopic Mass: 191.99698895
• SMILES: C[Si](C)(C)CC(=C)Br
• Canonical SMILES: BrC(=C)C[Si](C)(C)C
• InChI: InChI=1S/C6H13BrSi/c1-6(7)5-8(2,3)4/h1,5H2,2-4H3
• InChIKey: LUPQCAARZVEFMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoprop-2-en-1-yl)trimethylsilane
• IUPAC Traditional name: (2-bromoprop-2-en-1-yl)trimethylsilane
• Synonyms: 2-Bromo-3-(trimethylsilyl)propene; 2-Bromoallyltrimethylsilane; 2-溴-3-(三甲基甲硅烷基)丙烯; 2-溴丙烯基三甲基硅烷

Database IDs

• CAS Number: 81790-10-5
• MDL Number: MFCD00043054
• Beilstein Number: 3600686
• PubChem SID: 162239538; 24860142
• PubChem CID: 4173130

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8117
• LogD (pH = 7.4): 2.8117
• Log P: 2.8117
• Molar Refractivity: 39.0965 cm^3
• Polarizability: 17.161936 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82-85 °C/60 mmHg(lit.)
• Flash Point: 33 °C; 91.4 °F
• Density: 1.121 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.462(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: 16-26-36
• 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: 90%
• Grade: technical grade
• Linear Formula: H2C=C(Br)CH2Si(CH3)3

DETAILS

Sigma Aldrich - 333530

Packaging
1 g in ampule