bromo(hexyl)magnesium

• ChemBase ID: 149972
• Molecular Formular: C6H13BrMg
• Molecular Mass: 189.37642
• Monoisotopic Mass: 188.00510412
• SMILES: CCCCCC[Mg]Br
• Canonical SMILES: CCCCCC[Mg]Br
• InChI: InChI=1S/C6H13.BrH.Mg/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q;;+1/p-1
• InChIKey: SFXUWNMDTWQSHE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(hexyl)magnesium
• IUPAC Traditional name: bromo(hexyl)magnesium
• Synonyms: Hexylmagnesium bromide solution; 己基溴化镁 溶液

Database IDs

• CAS Number: 3761-92-0
• MDL Number: MFCD00000046
• Beilstein Number: 3535624
• PubChem SID: 24855279; 162244134
• PubChem CID: 4184939

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.581
• LogD (pH = 7.4): 2.581
• Log P: 2.581
• Molar Refractivity: 37.5631 cm^3
• Polarizability: 16.406136 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.965 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: 1
• Risk Statements: 11-14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H302-H314-H336
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, 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: 2.0 M in diethyl ether
• Linear Formula: CH3(CH2)5MgBr

DETAILS

Sigma Aldrich - 255025

Packaging
100, 800 mL in Sure/Seal™