2-(bromomagnesio)-N,N-bis(trimethylsilyl)aniline

• ChemBase ID: 298966
• Molecular Formular: C12H22BrMgNSi2
• Molecular Mass: 340.68978
• Monoisotopic Mass: 339.03245647
• SMILES: C[Si](C)(C)N(c1ccccc1[Mg]Br)[Si](C)(C)C
• Canonical SMILES: Br[Mg]c1ccccc1N([Si](C)(C)C)[Si](C)(C)C
• InChI: InChI=1S/C12H22NSi2.BrH.Mg/c1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;;/h7-10H,1-6H3;1H;/q;;+1/p-1
• InChIKey: YTXCHYSCTWOBLD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomagnesio)-N,N-bis(trimethylsilyl)aniline
• IUPAC Traditional name: 2-(bromomagnesio)-N,N-bis(trimethylsilyl)aniline
• Synonyms: 2-[Bis(trimethylsilyl)amino]phenylmagnesium bromide, 0.5M in 2-MeTHF; 2-[双(三甲基硅烷基)胺基]苯基溴化镁,0.5M 2-MeTHF溶液

Database IDs

• MDL Number: MFCD20040269
• PubChem SID: 180684497
• PubChem CID: 73996028

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.249434
• LogD (pH = 7.4): 4.2494993
• Log P: 4.2495
• Molar Refractivity: 72.3248 cm^3
• Polarizability: 32.954338 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-14-19-34
• Safety Statements: 8-9-16-20-23-26-30-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 0.5M in 2-MeTHF