4-bromophenoxy(tert-butyl)dimethylsilane

• ChemBase ID: 150832
• Molecular Formular: C12H19BrOSi
• Molecular Mass: 287.26816
• Monoisotopic Mass: 286.03885376
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Br
• Canonical SMILES: CC([Si](Oc1ccc(cc1)Br)(C)C)(C)C
• InChI: InChI=1S/C12H19BrOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,1-5H3
• InChIKey: DLGZGLKSNRKLSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromophenoxy(tert-butyl)dimethylsilane
• IUPAC Traditional name: 4-bromophenoxy(tert-butyl)dimethylsilane
• Synonyms: (4-Bromophenoxy)-tert-butyldimethylsilane; 1-Bromo-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]benzene; (4-Bromophenoxy)-tert-butyldimethylsilane; 4-Bromophenyl tert-Butyldimethylsilyl Ether; 4-Bromophenol tert-Butyldimethylsilyl Ether; (4-苯氧基溴)-叔丁基二甲基硅烷

Database IDs

• CAS Number: 67963-68-2
• MDL Number: MFCD00239382
• PubChem SID: 162244992; 24868144
• PubChem CID: 4227167

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: 27.702965 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: Colourless Oil
• Boiling Point: 137 °C/25 mmHg(lit.)
• Flash Point: 12 °C; 53.6 °F
• Density: 1.174 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.511(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 97%
• Linear Formula: BrC6H4OSi(CH3)2C(CH3)3

DETAILS

Sigma Aldrich - 444774

Packaging
5, 25 mL in glass bottle