bromo(propan-2-yl)magnesium

• ChemBase ID: 141063
• Molecular Formular: C3H7BrMg
• Molecular Mass: 147.29668
• Monoisotopic Mass: 145.95815392
• SMILES: CC(C)[Mg]Br
• Canonical SMILES: Br[Mg]C(C)C
• InChI: InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1
• InChIKey: UCJIVFREPMUZDC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(propan-2-yl)magnesium
• IUPAC Traditional name: bromo(isopropyl)magnesium
• Synonyms: Isopropylmagnesium bromide solution; 异丙基溴化镁 溶液

Database IDs

• CAS Number: 920-39-8
• MDL Number: MFCD00672110
• PubChem SID: 162235298
• PubChem CID: 101909

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3014
• LogD (pH = 7.4): 1.3014
• Log P: 1.3014
• Molar Refractivity: 23.6271 cm^3
• Polarizability: 11.009221 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: <-13 °F; <-25 °C
• Density: 1.112 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 2
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14-17-19-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H314
• GHS Precautionary statements: P210-P222-P231 + P232-P280-P305 + P351 + P338-P422
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 2.9 M in 2-methyltetrahydrofuran; 40 % (w/w)
• Linear Formula: (CH3)2MgBr

DETAILS

Sigma Aldrich - 703567

Packaging
100 mL in Sure/Seal™
Legal Information
Product of Rockwood Lithium