bromo(2,4,6-trimethylphenyl)magnesium

• ChemBase ID: 145212
• Molecular Formular: C9H11BrMg
• Molecular Mass: 223.39264
• Monoisotopic Mass: 221.98945405
• SMILES: Cc1cc(c(c(c1)C)[Mg]Br)C
• Canonical SMILES: Br[Mg]c1c(C)cc(cc1C)C
• InChI: InChI=1S/C9H11.BrH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q;;+1/p-1
• InChIKey: YXVSITSUDRGILL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2,4,6-trimethylphenyl)magnesium
• IUPAC Traditional name: bromo(2,4,6-trimethylphenyl)magnesium
• Synonyms: 2,4,6-Trimethylphenylmagnesium bromide; 2-Mesitylmagnesium bromide solution; 2-Mesitylmagnesium bromide; 2,4,6-Trimethylphenylmagnesium bromide, 1M in 2-MeTHF; 2,4,6-三甲基苯溴化镁; 2-均三甲苯基溴化镁 溶液; 2,4,6-三甲基苯基溴化镁, 1M 2-甲基四氢呋喃溶液

Database IDs

• CAS Number: 2633-66-1
• MDL Number: MFCD00009663
• PubChem SID: 24859894; 24853266; 162239422
• PubChem CID: 5098599

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1889
• LogD (pH = 7.4): 3.1889
• Log P: 3.1889
• Molar Refractivity: 49.3331 cm^3
• Polarizability: 20.204256 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C; -18.4 °F; -28 °C
• Density: 0.897 g/mL at 25 °C; 1.005 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; 3399; UN2924
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 1; 2; II
• Risk Statements: 11-14-19-22-34-67; 11-14-19-34; 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45; 9-16-26-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H302-H314-H336; H225-H314; H225-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2; UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in diethyl ether; 1.0 M in THF; 1M in 2-MeTHF
• Linear Formula: (CH3)3C6H2MgBr

DETAILS

Sigma Aldrich - 227234

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 332402

Packaging
100, 800 mL in Sure/Seal™