naphthalen-2-ylmagnesiumylium bromide

• ChemBase ID: 297765
• Molecular Formular: C10H7BrMg
• Molecular Mass: 231.37158
• Monoisotopic Mass: 229.95815392
• SMILES: c1ccc2cc(ccc2c1)[Mg+].[Br-]
• Canonical SMILES: [Mg+]c1ccc2c(c1)cccc2.[Br-]
• InChI: InChI=1S/C10H7.BrH.Mg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-3,5-8H;1H;/q;;+1/p-1
• InChIKey: XNUCNPPAQXKAOY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-ylmagnesiumylium bromide
• IUPAC Traditional name: naphthalen-2-ylmagnesiumylium bromide
• Synonyms: 2-Naphthylmagnesium bromide, 0.25M in MeTHF; 2-萘基溴化镁, 0.25M MeTHF 溶液

Database IDs

• CAS Number: 21473-01-8
• MDL Number: MFCD01319910
• PubChem SID: 180683296
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8544
• LogD (pH = 7.4): 1.8544
• Log P: 1.8544
• Molar Refractivity: 41.9245 cm^3
• Polarizability: 19.68922 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-14-19-34
• Safety Statements: 8-16-26-36/37/39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 0.25M in MeTHF