bromo(4-tert-butylphenyl)magnesium

• ChemBase ID: 142524
• Molecular Formular: C10H13BrMg
• Molecular Mass: 237.41922
• Monoisotopic Mass: 236.00510412
• SMILES: CC(C)(C)c1ccc(cc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C10H13.BrH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h5-8H,1-3H3;1H;/q;;+1/p-1
• InChIKey: YECFWFOEQLAVNH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-tert-butylphenyl)magnesium
• IUPAC Traditional name: bromo(4-tert-butylphenyl)magnesium
• Synonyms: 4-tert-Butylphenylmagnesium bromide solution; 4-叔丁基苯基溴化镁 溶液

Database IDs

• CAS Number: 63488-10-8
• MDL Number: MFCD00013244
• PubChem SID: 24859458; 162236753
• PubChem CID: 4608371

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4145
• LogD (pH = 7.4): 3.4145
• Log P: 3.4145
• Molar Refractivity: 52.8754 cm^3
• Polarizability: 22.174051 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C/760 mmHg
• Flash Point: 1.4 °F; -17 °C; -22 °C; -8 °F
• Density: 0.952 g/mL at 25 °C; 1.065 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; 2
• Risk Statements: 11-14-17-19-34-37; 12-14-20/21/22-34-40
• Safety Statements: 16-26-33-36/37/39-45; 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H314-H335
• GHS Precautionary statements: P210-P222-P231 + P232-P261-P280-P422
• RID/ADR: UN 2924 3/PG 1; UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in THF; 2.0 M in diethyl ether
• Linear Formula: (CH3)3CC6H4MgBr

DETAILS

Sigma Aldrich - 324655

Packaging
50 mL in Sure/Seal™

Sigma Aldrich - 706507

Packaging
100 mL in Sure/Seal™