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

• ChemBase ID: 137614
• Molecular Formular: C3H5ClMg
• Molecular Mass: 100.8298
• Monoisotopic Mass: 99.99301954
• SMILES: C=CC[Mg]Cl
• Canonical SMILES: Cl[Mg]CC=C
• InChI: InChI=1S/C3H5.ClH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q;;+1/p-1
• InChIKey: PLYLAFITHJUEGX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(prop-2-en-1-yl)magnesium
• IUPAC Traditional name: chloro(prop-2-en-1-yl)magnesium
• Synonyms: Allylmagnesium chloride solution; 烯丙基氯化镁 溶液

Database IDs

• CAS Number: 2622-05-1
• MDL Number: MFCD00000473
• Beilstein Number: 3587316
• PubChem SID: 24855542; 162231876; 24853531
• PubChem CID: 75804

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.021
• LogD (pH = 7.4): 1.021
• Log P: 1.021
• Molar Refractivity: 21.0513 cm^3
• Polarizability: 9.8572855 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.995 g/mL at 25 °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-H250-H260-H314-H335
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-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: 2.0 M in THF
• Linear Formula: CH2=CHCH2MgCl

DETAILS

Sigma Aldrich - 256617

Packaging
200 mL in Sure-Pac™

Sigma Aldrich - 225908

Application
Used in a study of the nucleophilic ring-opening of 2-methyleneaziridines to imines and subsequent conversion to 5,5′-disubstituted hydantoins.1
Packaging
100, 800 mL in Sure/Seal™
18 L in Kilo-Lab™