3-bromophenoxy(tert-butyl)dimethylsilane

• ChemBase ID: 163000
• Molecular Formular: C12H19BrOSi
• Molecular Mass: 287.26816
• Monoisotopic Mass: 286.03885376
• SMILES: c1ccc(cc1O[Si](C(C)(C)C)(C)C)Br
• Canonical SMILES: Brc1cccc(c1)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C12H19BrOSi/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9H,1-5H3
• InChIKey: BFRHMVJJJGUHDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromophenoxy(tert-butyl)dimethylsilane; (3-bromophenoxy)(tert-butyl)dimethylsilane
• IUPAC Traditional name: 3-bromophenoxy(tert-butyl)dimethylsilane
• Synonyms: 1-Bromo-3-tert-butyldimethylsilyloxybenzene; 3-(tert-Butyldimethylsiloxy)bromobenzene; 3-(tert-Butyldimethylsilyloxy)bromobenzene; 3-Bromophenyl tert-Butyldimethylsilyl Ether; 1-Bromo-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-benzene; [(3-Bromophenyl)oxy](1,1-dimethylethyl)dimethylsilane; 1-Bromo-3-(tert-butyldimethylsiloxy)benzene; (3-BroMophenoxy)(tert-butyl)diMethylsilane; 1-溴-3-(特-丁基二甲基硅氧基)苯

Database IDs

• CAS Number: 65423-56-5
• EC Number: 000-000-0
• MDL Number: MFCD01318106
• Beilstein Number: 2256298
• PubChem SID: 162257135
• PubChem CID: 11254705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7717
• LogD (pH = 7.4): 4.7717
• Log P: 4.7717
• Molar Refractivity: 65.5098 cm^3
• Polarizability: 27.703287 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DIchloromethane; Ethyl Acetate
• Apperance: Colorless OIl
• Boiling Point: 66°C/0.3mm
• Refractive Index: 1.5090

Safety Information

• Storage Condition: Refrigerator, under inert atmosphere
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 98%; 98+%

DETAILS

Toronto Research Chemicals - B686365

Enzyme inhibitor.

REFERENCES

• Segraves, E.K., et al.: J. Med. Chem. 47, 4060 (2004)