bromo(pentan-2-yl)magnesium

• ChemBase ID: 143402
• Molecular Formular: C5H11BrMg
• Molecular Mass: 175.34984
• Monoisotopic Mass: 173.98945405
• SMILES: CCCC(C)[Mg]Br
• Canonical SMILES: CC([Mg]Br)CCC
• InChI: InChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h3H,4-5H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: BATHVJUJMWQPMV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(pentan-2-yl)magnesium
• IUPAC Traditional name: bromo(pentan-2-yl)magnesium
• Synonyms: 2-Pentylmagnesium bromide solution; 2-戊基溴化镁 溶液

Database IDs

• MDL Number: MFCD11553332
• PubChem SID: 162237622
• PubChem CID: 12590025

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1663
• LogD (pH = 7.4): 2.1663
• Log P: 2.1663
• Molar Refractivity: 32.7521 cm^3
• Polarizability: 14.598523 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.988 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• German water hazard class: 3
• Risk Statements: 12-14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H261-H302-H314-H336
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-P422
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 2 M in diethyl ether
• Empirical Formula (Hill Notation): C5H11BrMg

DETAILS

Sigma Aldrich - 732745

Packaging
50 mL in Sure/Seal™