[(4-bromophenyl)methyl]trimethylsilane

• ChemBase ID: 152777
• Molecular Formular: C10H15BrSi
• Molecular Mass: 243.2156
• Monoisotopic Mass: 242.01263901
• SMILES: C[Si](C)(C)Cc1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)C[Si](C)(C)C
• InChI: InChI=1S/C10H15BrSi/c1-12(2,3)8-9-4-6-10(11)7-5-9/h4-7H,8H2,1-3H3
• InChIKey: YOBIYNREFRBEGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-bromophenyl)methyl]trimethylsilane
• IUPAC Traditional name: [(4-bromophenyl)methyl]trimethylsilane
• Synonyms: 4-Bromo-α-(trimethylsilyl)toluene; (4-Bromobenzyl)trimethylsilane; 4-溴-α-(三甲基甲硅烷基)甲苯; (4-溴苄基)三甲基硅烷

Database IDs

• CAS Number: 17095-20-4
• MDL Number: MFCD01862961
• Beilstein Number: 774733
• PubChem SID: 162246920; 24850093
• PubChem CID: 5043463

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7329
• LogD (pH = 7.4): 4.7329
• Log P: 4.7329
• Molar Refractivity: 54.481 cm^3
• Polarizability: 23.322622 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• GHS Hazard statements: H413
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC)
• Linear Formula: BrC6H4CH20Si(CH3)3

DETAILS

Sigma Aldrich - 16467

Other Notes
Precursor for preparing a polymer bound fluoride labile benzhydryl linker1