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

• ChemBase ID: 146664
• Molecular Formular: C4H7BrMg
• Molecular Mass: 159.30738
• Monoisotopic Mass: 157.95815392
• SMILES: CC(=C[Mg]Br)C
• Canonical SMILES: Br[Mg]C=C(C)C
• InChI: InChI=1S/C4H7.BrH.Mg/c1-4(2)3;;/h1H,2-3H3;1H;/q;;+1/p-1
• InChIKey: BKVIQODYSREJQH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-methylprop-1-en-1-yl)magnesium
• IUPAC Traditional name: bromo(2-methylprop-1-en-1-yl)magnesium
• Synonyms: 2-Methyl-1-propenylmagnesium bromide solution; 2-甲基-1-丙烯基溴化镁 溶液

Database IDs

• CAS Number: 38614-36-7
• MDL Number: MFCD00209600
• PubChem SID: 162240857; 24866265
• PubChem CID: 4456485

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6258
• LogD (pH = 7.4): 1.6258
• Log P: 1.6258
• Molar Refractivity: 28.173 cm^3
• Polarizability: 12.547072 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -15 °C; 5 °F
• Density: 0.952 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H335
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-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 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: (CH3)2C=CHMgBr

DETAILS

Sigma Aldrich - 419613

Application
Used in a study of a palladium-catalyzed coupling with aryl tosylates.
Used in a synthesis of (2S,3S)-3′-fluoroisoleucine.1
Packaging
100, 800 mL in Sure/Seal™