bromo(2-methylpropyl)magnesium

• ChemBase ID: 146328
• Molecular Formular: C4H9BrMg
• Molecular Mass: 161.32326
• Monoisotopic Mass: 159.97380399
• SMILES: CC(C)C[Mg]Br
• Canonical SMILES: Br[Mg]CC(C)C
• InChI: InChI=1S/C4H9.BrH.Mg/c1-4(2)3;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1
• InChIKey: CMWBEISSZHZIMU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-methylpropyl)magnesium
• IUPAC Traditional name: bromo(2-methylpropyl)magnesium
• Synonyms: Isobutylmagnesium bromide solution; 异丁基溴化镁 溶液

Database IDs

• CAS Number: 926-62-5
• MDL Number: MFCD00075126
• PubChem SID: 24860530; 162240526
• PubChem CID: 4285172

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7949
• LogD (pH = 7.4): 1.7949
• Log P: 1.7949
• Molar Refractivity: 28.2317 cm^3
• Polarizability: 12.79851 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -29.2 °F; -34 °C
• Density: 0.941 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Highly flammable (F+); Harmful (Xn)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 12-19-22-66-67
• Safety Statements: 16
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H315-H318-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 2.0 M in diethyl ether
• Linear Formula: (CH3)2CHCH2MgBr

DETAILS

Sigma Aldrich - 338257

Packaging
100, 800 mL in Sure/Seal™