but-3-en-2-yl(chloro)magnesium

• ChemBase ID: 151053
• Molecular Formular: C4H7ClMg
• Molecular Mass: 114.85638
• Monoisotopic Mass: 114.0086696
• SMILES: CC(C=C)[Mg]Cl
• Canonical SMILES: CC(C=C)[Mg]Cl
• InChI: InChI=1S/C4H7.ClH.Mg/c1-3-4-2;;/h3-4H,1H2,2H3;1H;/q;;+1/p-1
• InChIKey: RTJGBPYEBKZQGE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: but-3-en-2-yl(chloro)magnesium
• IUPAC Traditional name: but-3-en-2-yl(chloro)magnesium
• Synonyms: 1-Methyl-2-propenylmagnesium chloride solution; 1-甲基-2-丙烯基氯化镁 溶液

Database IDs

• CAS Number: 21969-32-4
• MDL Number: MFCD00216570
• PubChem SID: 162245212; 24866306
• PubChem CID: 4346364

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3989
• LogD (pH = 7.4): 1.3989
• Log P: 1.3989
• Molar Refractivity: 25.4423 cm^3
• Polarizability: 11.690469 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67 °C
• Flash Point: -20 °C; -4 °F
• Density: 0.917 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14/15-19-36/37/38
• Safety Statements: 16-26-43
• 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: 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 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: H2C=CHCH(CH3)MgCl

DETAILS

Sigma Aldrich - 420042

Packaging
100 mL in Sure/Seal™