bromo(2,6-dimethylphenyl)magnesium

• ChemBase ID: 149339
• Molecular Formular: C8H9BrMg
• Molecular Mass: 209.36606
• Monoisotopic Mass: 207.97380399
• SMILES: Cc1cccc(c1[Mg]Br)C
• Canonical SMILES: Br[Mg]c1c(C)cccc1C
• InChI: InChI=1S/C8H9.BrH.Mg/c1-7-4-3-5-8(2)6-7;;/h3-5H,1-2H3;1H;/q;;+1/p-1
• InChIKey: BIGUVDUZGAJWQK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2,6-dimethylphenyl)magnesium
• IUPAC Traditional name: bromo(2,6-dimethylphenyl)magnesium
• Synonyms: 2,6-Dimethylphenylmagnesium bromide solution; 2,6-Dimethylphenylmagnesium bromide, 0.5M in 2-MeTHF; 2,6-二甲基苯基溴化镁 溶液; 2,6-二甲基苯基溴化镁, 0.5M 2-甲基四氢呋喃溶液

Database IDs

• CAS Number: 21450-64-6
• MDL Number: MFCD00192083
• PubChem SID: 24866639; 162243506
• PubChem CID: 4517616

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7217
• LogD (pH = 7.4): 2.7217
• Log P: 2.7217
• Molar Refractivity: 44.2919 cm^3
• Polarizability: 18.455587 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C
• Flash Point: -19 °C; -2.2 °F
• Density: 0.998 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399; UN2924
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-14/15-19-20/21/22-34-37; 11-14-19-34
• Safety Statements: 16-26-36/37/39-43-45; 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318-EUH014; H225-H261-H302-H312-H314-H330-H335
• GHS Precautionary statements: P210-P231 + P232-P260-P280-P284-P422; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 0.5M in 2-MeTHF; 1.0 M in THF
• Linear Formula: (CH3)2C6H3MgBr

DETAILS

Sigma Aldrich - 425508

Packaging
100, 800 mL in Sure/Seal™