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

• ChemBase ID: 147299
• 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/c1-4(2)3;;/h1-2H2,3H3;1H;/q;;+1/p-1
• InChIKey: BJVFGWYBOLMUEM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5674-01-1
• MDL Number: MFCD00674003
• PubChem SID: 24866258; 162241489
• PubChem CID: 5175691

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1744
• LogD (pH = 7.4): 1.1744
• Log P: 1.1744
• Molar Refractivity: 25.3333 cm^3
• Polarizability: 11.690236 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C
• Flash Point: -21 °C; -5.8 °F
• Density: 0.915 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: 1
• 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 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: H2C=C(CH3)CH2MgCl

DETAILS

Sigma Aldrich - 419532

Packaging
25, 4×25, 100 mL in Sure/Seal™