bromo(3,5-dimethylphenyl)magnesium

• ChemBase ID: 151849
• Molecular Formular: C8H9BrMg
• Molecular Mass: 209.36606
• Monoisotopic Mass: 207.97380399
• SMILES: Cc1cc(cc(c1)[Mg]Br)C
• Canonical SMILES: Br[Mg]c1cc(C)cc(c1)C
• InChI: InChI=1S/C8H9.BrH.Mg/c1-7-4-3-5-8(2)6-7;;/h4-6H,1-2H3;1H;/q;;+1/p-1
• InChIKey: XPXQQJMQESWIKM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3,5-dimethylphenyl)magnesium
• IUPAC Traditional name: bromo(3,5-dimethylphenyl)magnesium
• Synonyms: 3,5-Dimethylphenylmagnesium bromide solution; 3,5-Dimethylphenylmagnesium bromide, 0.5M in 2-MeTHF; 3,5-二甲苯基溴化镁 溶液; 3,5-二甲基苯基溴化镁, 0.5M 2-甲基四氢呋喃溶液

Database IDs

• CAS Number: 34696-73-6
• MDL Number: MFCD01311497
• PubChem SID: 162245995; 24880004
• PubChem CID: 10965748

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: 18.457169 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.950 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2924; UN2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-19-36/37
• Safety Statements: 16-26; 9-16-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H313; H225-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

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

DETAILS

Sigma Aldrich - 562076

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.