4-(bromomagnesio)-N,N-dimethylaniline

• ChemBase ID: 151841
• Molecular Formular: C8H10BrMgN
• Molecular Mass: 224.3807
• Monoisotopic Mass: 222.98470303
• SMILES: CN(C)c1ccc(cc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)N(C)C
• InChI: InChI=1S/C8H10N.BrH.Mg/c1-9(2)8-6-4-3-5-7-8;;/h4-7H,1-2H3;1H;/q;;+1/p-1
• InChIKey: OWWWKAXERYRWAU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomagnesio)-N,N-dimethylaniline
• IUPAC Traditional name: 4-(bromomagnesio)-N,N-dimethylaniline
• Synonyms: 4-(N,N-Dimethyl)aniline magnesium bromide solution; 4-(N,N-二甲基)苯胺溴化镁 溶液

Database IDs

• CAS Number: 7353-91-5
• MDL Number: MFCD00672006
• PubChem SID: 162245987; 24879914
• PubChem CID: 10933129

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9599907
• LogD (pH = 7.4): 2.0504165
• Log P: 2.0517
• Molar Refractivity: 48.6381 cm^3
• Polarizability: 19.768827 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.951 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-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.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: (CH3)2NC6H4MgBr

DETAILS

Sigma Aldrich - 561061

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.