bromo(cyclopentyl)magnesium

• ChemBase ID: 137865
• Molecular Formular: C5H9BrMg
• Molecular Mass: 173.33396
• Monoisotopic Mass: 171.97380399
• SMILES: C1CCC(C1)[Mg]Br
• Canonical SMILES: Br[Mg]C1CCCC1
• InChI: InChI=1S/C5H9.BrH.Mg/c1-2-4-5-3-1;;/h1H,2-5H2;1H;/q;;+1/p-1
• InChIKey: PZOJUJCALDFFHC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(cyclopentyl)magnesium
• IUPAC Traditional name: bromo(cyclopentyl)magnesium
• Synonyms: Cyclopentylmagnesium bromide solution; 环戊基溴化镁 溶液

Database IDs

• CAS Number: 33240-34-5
• MDL Number: MFCD00209569
• PubChem SID: 162232126; 24866809
• PubChem CID: 118418

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7346
• LogD (pH = 7.4): 1.7346
• Log P: 1.7346
• Molar Refractivity: 30.8729 cm^3
• Polarizability: 13.909445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35 °C
• Flash Point: -36.4 °F; -38 °C
• Density: 0.996 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 12-14-17-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H250-H260-H302-H314-H336
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422
• 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., Reacts violently with water.

Product Information

• Concentration: 2.0 M in diethyl ether
• Linear Formula: C5H9MgBr

DETAILS

Sigma Aldrich - 428337

Packaging
100, 800 mL in Sure/Seal™