bromo(prop-1-en-2-yl)magnesium

• ChemBase ID: 147285
• Molecular Formular: C3H5BrMg
• Molecular Mass: 145.2808
• Monoisotopic Mass: 143.94250386
• SMILES: CC(=C)[Mg]Br
• Canonical SMILES: CC(=C)[Mg]Br
• InChI: InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q;;+1/p-1
• InChIKey: LFTYALBVGVNGLI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(prop-1-en-2-yl)magnesium
• IUPAC Traditional name: bromo(prop-1-en-2-yl)magnesium
• Synonyms: Isopropenylmagnesium bromide solution; 异丙烯基溴化镁 溶液

Database IDs

• CAS Number: 13291-18-4
• MDL Number: MFCD00192240
• Beilstein Number: 3587297
• PubChem SID: 24866260; 162241475
• PubChem CID: 4187787

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.666
• LogD (pH = 7.4): 0.666
• Log P: 0.666
• Molar Refractivity: 23.9432 cm^3
• Polarizability: 10.756384 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67 °C
• Flash Point: 2 °C; 35.6 °F; 36 °F
• Density: 0.935 g/mL at 25 °C; 0.94 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 1; 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-34; 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45; 26-30-36/37/39-43.12-45-7/8
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: ~0.5 M in THF; 0.5 M in THF
• Linear Formula: CH2=C(CH3)MgBr

DETAILS

Sigma Aldrich - 419567

Packaging
100, 800 mL in Sure/Seal™