but-2-en-1-yl(chloro)magnesium

• ChemBase ID: 146445
• Molecular Formular: C4H7ClMg
• Molecular Mass: 114.85638
• Monoisotopic Mass: 114.0086696
• SMILES: C/C=C/C[Mg]Cl
• Canonical SMILES: C/C=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-2-en-1-yl(chloro)magnesium
• IUPAC Traditional name: but-2-en-1-yl(chloro)magnesium
• Synonyms: 2-Butenylmagnesium chloride solution; 2-丁烯基氯化镁 溶液

Database IDs

• CAS Number: 22649-70-3
• MDL Number: MFCD01321226
• PubChem SID: 24866262; 162240641
• PubChem CID: 6104506

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3722
• LogD (pH = 7.4): 1.3722
• Log P: 1.3722
• Molar Refractivity: 26.7248 cm^3
• Polarizability: 11.690219 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.921 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: 14/15-19-20/21/22-34-37
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H330-H335
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• 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 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3CH=CHCH2MgCl

DETAILS

Sigma Aldrich - 419583

Packaging
100 mL in Sure/Seal™