chloro(ethenyl)magnesium

• ChemBase ID: 144990
• Molecular Formular: C2H3ClMg
• Molecular Mass: 86.80322
• Monoisotopic Mass: 85.97736948
• SMILES: C=C[Mg]Cl
• Canonical SMILES: Cl[Mg]C=C
• InChI: InChI=1S/C2H3.ClH.Mg/c1-2;;/h1H,2H2;1H;/q;;+1/p-1
• InChIKey: NAFZXKWEUWVSAW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(ethenyl)magnesium
• IUPAC Traditional name: chloro(ethenyl)magnesium
• Synonyms: Vinylmagnesium chloride solution; 乙烯基氯化镁 溶液

Database IDs

• CAS Number: 3536-96-7
• MDL Number: MFCD00013594
• Beilstein Number: 3535268
• PubChem SID: 24871270; 24889973; 162239200
• PubChem CID: 77075

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8206
• LogD (pH = 7.4): 0.8206
• Log P: 0.8206
• Molar Refractivity: 15.6186 cm^3
• Polarizability: 8.031405 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.978 g/mL at 25 °C; 0.980 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 1
• 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 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: ~1.7 M in THF; 1.6 M in THF
• Grade: technical
• Linear Formula: CH2=CHMgCl

DETAILS

Sigma Aldrich - 476552

Application
Used with iron pentadienoate complexes in a synthesis of divinyl cyclopropanes.1
Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™