[(6-bromohexyl)oxy](tert-butyl)dimethylsilane

• ChemBase ID: 150043
• Molecular Formular: C12H27BrOSi
• Molecular Mass: 295.33168
• Monoisotopic Mass: 294.10145402
• SMILES: CC(C)(C)[Si](C)(C)OCCCCCCBr
• Canonical SMILES: BrCCCCCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C12H27BrOSi/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-11H2,1-5H3
• InChIKey: PBKXRKYUUXKNSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-bromohexyl)oxy](tert-butyl)dimethylsilane
• IUPAC Traditional name: [(6-bromohexyl)oxy](tert-butyl)dimethylsilane
• Synonyms: (6-Bromohexyloxy)-tert-butyldimethylsilane; (6-溴己氧基)-叔丁基二甲基硅烷

Database IDs

• CAS Number: 129368-70-3
• MDL Number: MFCD01863708
• PubChem SID: 24873678; 162244205
• PubChem CID: 4260352

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3611
• LogD (pH = 7.4): 4.3611
• Log P: 4.3611
• Molar Refractivity: 69.1482 cm^3
• Polarizability: 29.080925 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 276 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.053 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.457(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 99%
• Linear Formula: (CH3)3CSi(CH3)2O(CH2)6Br

DETAILS

Sigma Aldrich - 513148

Packaging
5, 25 mL in glass bottle