(4-bromophenyl)trimethylsilane

• ChemBase ID: 150836
• Molecular Formular: C9H13BrSi
• Molecular Mass: 229.18902
• Monoisotopic Mass: 227.99698895
• SMILES: C[Si](C)(C)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)[Si](C)(C)C
• InChI: InChI=1S/C9H13BrSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3
• InChIKey: UKTSSJJZFVGTCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromophenyl)trimethylsilane
• IUPAC Traditional name: (4-bromophenyl)trimethylsilane
• Synonyms: 1-Bromo-4-(trimethylsilyl)benzene; 1-溴-4-(三甲基硅基)苯

Database IDs

• CAS Number: 6999-03-7
• MDL Number: MFCD00094165
• PubChem SID: 24869027; 162244996
• PubChem CID: 138897

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: 21.49659 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 229.5 °C/752 mmHg(lit.)
• Flash Point: 204.8 °F; 96 °C
• Density: 1.173 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.529(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: BrC6H4Si(CH3)3

DETAILS

Sigma Aldrich - 455113

Packaging
5 g in glass bottle