4-bromophenoxytrimethylsilane

• ChemBase ID: 91043
• Molecular Formular: C9H13BrOSi
• Molecular Mass: 245.18842
• Monoisotopic Mass: 243.99190357
• SMILES: O(c1ccc(cc1)Br)[Si](C)(C)C
• Canonical SMILES: Brc1ccc(cc1)O[Si](C)(C)C
• InChI: InChI=1S/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3
• InChIKey: HWKPTBHJWBSOOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromophenoxytrimethylsilane
• IUPAC Traditional name: 4-bromophenoxytrimethylsilane
• Synonyms: 4-(Trimethylsilyloxy)bromobenzene 98%; 1-Bromo-4-(trimethylsiloxy)benzene; 4-(Trimethylsiloxy)bromobenzene; (4-Bromophenoxy)trimethylsilane; (4-Bromophenoxy)trimethylsilane; 1-Bromo-4-(trimethylsiloxy)benzene; (4-溴苯氧基)三甲基硅烷; (4-溴苯氧基)三甲基硅烷; 对(三甲基硅氧基)溴苯

Database IDs

• CAS Number: 17878-44-3
• EC Number: 241-831-0
• MDL Number: MFCD00040713
• Beilstein Number: 1342373
• PubChem SID: 24861558; 162077747
• PubChem CID: 87350

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0435
• LogD (pH = 7.4): 4.0435
• Log P: 4.0435
• Molar Refractivity: 51.7876 cm^3
• Polarizability: 22.22747 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105-107°C/12mm
• Flash Point: 206.6 °F; 97 °C; 97°C(207°F)
• Density: 1.268; 1.268 g/mL at 25 °C(lit.)
• Refractive Index: 1.5160; n20/D 1.515; n20/D 1.515(lit.)

Safety Information

• Storage Warning: Irritant; Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: BrC6H4OSi(CH3)3

DETAILS

Sigma Aldrich - 348201

Packaging
25 g in glass bottle

Sigma Aldrich - 18555

Other Notes
Protected 4-bromophenol; employed e.g. for preparing the corresponding Grignard reagent1