lithium(1+) ion tributylmagnesiumuide

• ChemBase ID: 140825
• Molecular Formular: C12H27LiMg
• Molecular Mass: 202.58878
• Monoisotopic Mass: 202.21232211
• SMILES: [Li+].CCCC[Mg-](CCCC)CCCC
• Canonical SMILES: CCCC[Mg-](CCCC)CCCC.[Li+]
• InChI: InChI=1S/3C4H9.Li.Mg/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;/q;;;+1;-1
• InChIKey: MYNWCAJLXIFFBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion tributylmagnesiumuide
• IUPAC Traditional name: lithium(1+) ion tributylmagnesiumuide
• Synonyms: Lithium tributylmagnesate in hexanes/ether; Tri-n-butyllithium magnesate; 三丁基镁锂的己烷/乙醚溶液; 三正丁基锂镁

Database IDs

• CAS Number: 20910-20-7
• PubChem SID: 24885422

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2787
• LogD (pH = 7.4): 3.2787
• Log P: 3.2787
• Molar Refractivity: 58.4157 cm^3
• Polarizability: 25.326555 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -13 °F; -25 °C
• Density: 0.769 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1155
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 11-14-19-22-38-51/53-65-67
• Safety Statements: 16-61-62
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H411
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1155 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): C12H27LiMg

DETAILS

Sigma Aldrich - 678317

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