chloro(2-methylbutan-2-yl)magnesium

• ChemBase ID: 147995
• Molecular Formular: C5H11ClMg
• Molecular Mass: 130.89884
• Monoisotopic Mass: 130.03996973
• SMILES: CCC(C)(C)[Mg]Cl
• Canonical SMILES: CCC([Mg]Cl)(C)C
• InChI: InChI=1S/C5H11.ClH.Mg/c1-4-5(2)3;;/h4H2,1-3H3;1H;/q;;+1/p-1
• InChIKey: NWFDYJDCSIHFAB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(2-methylbutan-2-yl)magnesium
• IUPAC Traditional name: chloro(2-methylbutan-2-yl)magnesium
• Synonyms: 1,1-Dimethylpropylmagnesium chloride solution; 1,1-二甲基丙基氯化镁 溶液

Database IDs

• CAS Number: 28276-08-6
• MDL Number: MFCD00010356
• PubChem SID: 24856749; 162242175
• PubChem CID: 4056867

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5124
• LogD (pH = 7.4): 1.5124
• Log P: 1.5124
• Molar Refractivity: 30.1626 cm^3
• Polarizability: 13.77148 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.831 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H302-H314-H336
• 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: 1.0 M in diethyl ether
• Linear Formula: C2H5C(CH3)2MgCl

DETAILS

Sigma Aldrich - 277282

Packaging
100 mL in Sure/Seal™