butan-2-yl(chloro)magnesium

• ChemBase ID: 149046
• Molecular Formular: C4H9ClMg
• Molecular Mass: 116.87226
• Monoisotopic Mass: 116.02431967
• SMILES: CCC(C)[Mg]Cl
• Canonical SMILES: CC([Mg]Cl)CC
• InChI: InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: MJHZUYZQMNONPK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-2-yl(chloro)magnesium
• IUPAC Traditional name: chloro(sec-butyl)magnesium
• Synonyms: sec-Butylmagnesium chloride solution; 仲丁基氯化镁 溶液

Database IDs

• CAS Number: 15366-08-2
• MDL Number: MFCD00000467
• Beilstein Number: 3600265
• PubChem SID: 24853437; 162243215
• PubChem CID: 84884

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4694
• LogD (pH = 7.4): 1.4694
• Log P: 1.4694
• Molar Refractivity: 25.5522 cm^3
• Polarizability: 11.93653 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: 0.828 g/mL at 25 °C; 0.83 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: 11-14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H302-H314-H336
• 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 M in diethyl ether; 2.0 M in diethyl ether
• Grade: purum
• Linear Formula: CH3CH2CH(CH3)MgCl

DETAILS

Sigma Aldrich - 224421

Packaging
100, 800 mL in Sure/Seal™