bromo(cycloheptyl)magnesium

• ChemBase ID: 143517
• Molecular Formular: C7H13BrMg
• Molecular Mass: 201.38712
• Monoisotopic Mass: 200.00510412
• SMILES: C1CCCC(CC1)[Mg]Br
• Canonical SMILES: Br[Mg]C1CCCCCC1
• InChI: InChI=1S/C7H13.BrH.Mg/c1-2-4-6-7-5-3-1;;/h1H,2-7H2;1H;/q;;+1/p-1
• InChIKey: KMAQJJKRGAFLBH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(cycloheptyl)magnesium
• IUPAC Traditional name: bromo(cycloheptyl)magnesium
• Synonyms: Cycloheptylmagnesium bromide solution; 环庚基溴化镁 溶液

Database IDs

• MDL Number: MFCD14635266
• PubChem SID: 162237736
• PubChem CID: 13547153

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5272
• LogD (pH = 7.4): 2.5272
• Log P: 2.5272
• Molar Refractivity: 40.0749 cm^3
• Polarizability: 17.52075 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: <-22 °F; <-30 °C
• Density: 1.034 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H312-H314-H332-H336
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 2 M in diethyl ether
• Empirical Formula (Hill Notation): C7H13BrMg

DETAILS

Sigma Aldrich - 730599

Packaging
50 mL in Sure/Seal™