chloro(ethynyl)magnesium

• ChemBase ID: 149602
• Molecular Formular: C2HClMg
• Molecular Mass: 84.78734
• Monoisotopic Mass: 83.96171941
• SMILES: C#C[Mg]Cl
• Canonical SMILES: Cl[Mg]C#C
• InChI: InChI=1S/C2H.ClH.Mg/c1-2;;/h1H;1H;/q;;+1/p-1
• InChIKey: YEWNLGTVYUADOR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(ethynyl)magnesium
• IUPAC Traditional name: chloro(ethynyl)magnesium
• Synonyms: Ethynylmagnesium chloride solution; 乙炔基氯化镁 溶液

Database IDs

• CAS Number: 65032-27-1
• MDL Number: MFCD00075343
• PubChem SID: 24861377; 162243765
• PubChem CID: 2734899

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.5009
• LogD (pH = 7.4): 0.5009
• Log P: 0.5009
• Molar Refractivity: 13.1193 cm^3
• Polarizability: 7.217802 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -16.6 °F; -27 °C
• Density: 0.921 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: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH≡CMgCl

DETAILS

Sigma Aldrich - 346160

Packaging
100, 800 mL in Sure/Seal™