bromo(cyclohexylmethyl)magnesium

• ChemBase ID: 140529
• Molecular Formular: C7H13BrMg
• Molecular Mass: 201.38712
• Monoisotopic Mass: 200.00510412
• SMILES: C1CCC(CC1)C[Mg]Br
• Canonical SMILES: Br[Mg]CC1CCCCC1
• InChI: InChI=1S/C7H13.BrH.Mg/c1-7-5-3-2-4-6-7;;/h7H,1-6H2;1H;/q;;+1/p-1
• InChIKey: ZBCIOGFGZRNNEC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(cyclohexylmethyl)magnesium
• IUPAC Traditional name: bromo(cyclohexylmethyl)magnesium
• Synonyms: (Cyclohexylmethyl)magnesium bromide solution; (环己基甲基)溴化镁

Database IDs

• CAS Number: 35166-78-0
• MDL Number: MFCD02260210
• PubChem SID: 162234773
• PubChem CID: 10932511

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4798
• LogD (pH = 7.4): 2.4798
• Log P: 2.4798
• Molar Refractivity: 40.2325 cm^3
• Polarizability: 17.520615 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -20 °C; -4 °F
• Density: 0.966 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2924 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Empirical Formula (Hill Notation): C7H13BrMg

DETAILS

Sigma Aldrich - 687952

Packaging
50 mL in Sure/Seal™
Application
Reactant involved in:
• Isomerization polymerization of alkenylcyclohexanes1
• Intramolecular rearrangements of vinylidenecyclopropanes2
• Cycloisomerization of cyclic and acyclic enynes3Additionally reactant involved in synthesis of biologically active molecules including:
• Dipeptidyl boronic acid proteasome inhibitors4
• Substituted 1,3-dihydroindole-2-ones with antitumor effects5
• Sulfur-free transition state nucleoside analog inhibitors of methylthioadenosine nucleosidase and phosphorylase6