(3-bromophenyl)trimethylsilane

• ChemBase ID: 143236
• Molecular Formular: C9H13BrSi
• Molecular Mass: 229.18902
• Monoisotopic Mass: 227.99698895
• SMILES: C[Si](C)(C)c1cccc(c1)Br
• Canonical SMILES: Brc1cccc(c1)[Si](C)(C)C
• InChI: InChI=1S/C9H13BrSi/c1-11(2,3)9-6-4-5-8(10)7-9/h4-7H,1-3H3
• InChIKey: JXQZFRPARQBDKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)trimethylsilane
• IUPAC Traditional name: (3-bromophenyl)trimethylsilane
• Synonyms: (3-Bromophenyl)trimethylsilane; 1-Bromo-3-(trimethylsilyl)benzene; (3-溴苯基)三甲基硅烷; 1-溴-3-(三甲基硅基)苯

Database IDs

• CAS Number: 17878-47-6
• MDL Number: MFCD00093882
• PubChem SID: 162237457
• PubChem CID: 4167050

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.423
• LogD (pH = 7.4): 4.423
• Log P: 4.423
• Molar Refractivity: 49.7444 cm^3
• Polarizability: 21.496578 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.230 g/mL at 25 °C
• Refractive Index: n20/D 1.532

Safety Information

• German water hazard class: 3
• GHS Hazard statements: H413

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H13BrSi

DETAILS

Sigma Aldrich - 714798

Packaging
10 g in glass bottle