lithium(1+) ion dibutyl(propan-2-yl)magnesiumuide

• ChemBase ID: 140826
• Molecular Formular: C11H25LiMg
• Molecular Mass: 188.5622
• Monoisotopic Mass: 188.19667205
• SMILES: [Li+].CCCC[Mg-](CCCC)C(C)C
• Canonical SMILES: CCCC[Mg-](C(C)C)CCCC.[Li+]
• InChI: InChI=1S/2C4H9.C3H7.Li.Mg/c2*1-3-4-2;1-3-2;;/h2*1,3-4H2,2H3;3H,1-2H3;;/q;;;+1;-1
• InChIKey: NRIMXEIECWMTKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion dibutyl(propan-2-yl)magnesiumuide
• IUPAC Traditional name: lithium(1+) ion dibutyl(isopropyl)magnesiumuide
• Synonyms: Lithium dibutyl(isopropyl)magnesate; 二丁基(异丙基)锂镁盐

Database IDs

• CAS Number: 296802-58-9
• PubChem SID: 24885764

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7194
• LogD (pH = 7.4): 2.7194
• Log P: 2.7194
• Molar Refractivity: 53.7587 cm^3
• Polarizability: 23.479582 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.708 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 14/15-19-38-51/53-65-67
• Safety Statements: 43-61-62
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H260-H304-H315-H336-H411
• GHS Precautionary statements: P223-P231 + P232-P261-P273-P370 + P378-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.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.7 M in diethyl ether/hexanes
• Empirical Formula (Hill Notation): C11H25LiMg

DETAILS

Sigma Aldrich - 683418

General description
Haziness is due to slow hydrolysis of product. Does not effect use.
Packaging
50 mL in Sure/Seal™