bromo(naphthalen-2-ylmethyl)magnesium

• ChemBase ID: 135571
• Molecular Formular: C11H9BrMg
• Molecular Mass: 245.39816
• Monoisotopic Mass: 243.97380399
• SMILES: c1ccc2cc(ccc2c1)C[Mg]Br
• Canonical SMILES: Br[Mg]Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H9.BrH.Mg/c1-9-6-7-10-4-2-3-5-11(10)8-9;;/h2-8H,1H2;1H;/q;;+1/p-1
• InChIKey: OIRLTBRMGKWRPP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(naphthalen-2-ylmethyl)magnesium
• IUPAC Traditional name: bromo(naphthalen-2-ylmethyl)magnesium
• Synonyms: (2-Naphthalenylmethyl)magnesium bromide solution; (2-萘基甲基)溴化镁 溶液

Database IDs

• CAS Number: 127543-80-0
• MDL Number: MFCD02260227
• PubChem SID: 24884665; 162229845
• PubChem CID: 15063504

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3598
• LogD (pH = 7.4): 3.3598
• Log P: 3.3598
• Molar Refractivity: 55.5503 cm^3
• Polarizability: 24.144283 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -22 °F; -30 °C
• Density: 0.776 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 11-14-19-22-36/38-67
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.25 M in diethyl ether
• Empirical Formula (Hill Notation): C11H9BrMg

DETAILS

Sigma Aldrich - 663891

Packaging
100 mL in Sure/Seal™