bromo[2,4,6-tris(propan-2-yl)phenyl]magnesium

• ChemBase ID: 143385
• Molecular Formular: C15H23BrMg
• Molecular Mass: 307.55212
• Monoisotopic Mass: 306.08335444
• SMILES: CC(C)c1cc(c(c(c1)C(C)C)[Mg]Br)C(C)C
• Canonical SMILES: Br[Mg]c1c(cc(cc1C(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C15H23.BrH.Mg/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;;/h7-8,10-12H,1-6H3;1H;/q;;+1/p-1
• InChIKey: LXUAJPDGIIDXFR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[2,4,6-tris(propan-2-yl)phenyl]magnesium
• IUPAC Traditional name: bromo(2,4,6-triisopropylphenyl)magnesium
• Synonyms: Bromo[2,4,6-tris(1-methylethyl)phenyl]magnesium; 2,4,6-Triisopropylphenylmagnesium bromide solution; 溴化[2,4,6-三(1-甲基乙基)苯基]镁; 2,4,6-三异丙基苯基溴化镁 溶液

Database IDs

• MDL Number: MFCD11553362
• PubChem SID: 162237605
• PubChem CID: 10946746

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3693
• LogD (pH = 7.4): 5.3693
• Log P: 5.3693
• Molar Refractivity: 76.7819 cm^3
• Polarizability: 31.17738 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: <-22 °F; <-30 °C
• Density: 0.949 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 3
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C15H23BrMg

DETAILS

Sigma Aldrich - 731749

Packaging
50 mL in Sure/Seal™