[2-(2-bromophenyl)ethynyl]trimethylsilane

• ChemBase ID: 149295
• Molecular Formular: C11H13BrSi
• Molecular Mass: 253.21042
• Monoisotopic Mass: 251.99698895
• SMILES: C[Si](C)(C)C#Cc1ccccc1Br
• Canonical SMILES: Brc1ccccc1C#C[Si](C)(C)C
• InChI: InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-6-4-5-7-11(10)12/h4-7H,1-3H3
• InChIKey: FABNGXSCLHXUOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-bromophenyl)ethynyl]trimethylsilane
• IUPAC Traditional name: [2-(2-bromophenyl)ethynyl]trimethylsilane
• Synonyms: (2-Bromophenylethynyl)trimethylsilane; (2-溴苯基乙炔基)三甲基硅烷; (2-溴苯乙炔基)三甲基硅烷

Database IDs

• CAS Number: 38274-16-7
• MDL Number: MFCD01321391
• PubChem SID: 162243463; 24871963
• PubChem CID: 4547398

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8376
• LogD (pH = 7.4): 4.8376
• Log P: 4.8376
• Molar Refractivity: 53.9174 cm^3
• Polarizability: 24.06513 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-80 °C/2 mmHg(lit.); 60-80°C/2mm
• Flash Point: >113 °C; >113°C(235°F); >235.4 °F
• Density: 1.19; 1.19 g/mL at 25 °C(lit.)
• Refractive Index: 1.554; n20/D 1.554(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: BrC6H4C≡CSi(CH3)3

DETAILS

Sigma Aldrich - 484695

Packaging
5 g in glass bottle