lithium(1+) ion methyllithium iodide

• ChemBase ID: 148236
• Molecular Formular: CH3ILi2
• Molecular Mass: 155.82099
• Monoisotopic Mass: 155.9599572
• SMILES: [Li+].[Li]C.[I-]
• Canonical SMILES: [Li]C.[Li+].[I-]
• InChI: InChI=1S/CH3.HI.2Li/h1H3;1H;;/q;;;+1/p-1
• InChIKey: LHJHNKBQWVOCIH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion methyllithium iodide
• IUPAC Traditional name: lithium(1+) ion LiMe iodide
• Synonyms: Methyllithium lithium iodide complex; 甲基锂-碘化锂络合物

Database IDs

• MDL Number: MFCD06804667
• PubChem SID: 162242412; 24859041
• PubChem CID: 23681142

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.243
• LogD (pH = 7.4): 0.243
• Log P: 0.243
• Molar Refractivity: 5.5491 cm^3
• Polarizability: 3.84631 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35 °C
• Flash Point: -13 °F; -25 °C
• Density: 0.909 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 3399
• German water hazard class: -
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 12-14-34
• Safety Statements: 16-26-33-36/37/39-43.4-45
• RID/ADR: UN 3399 4.3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1.0 M in diethyl ether
• Linear Formula: CH3Li · LiI

DETAILS

Sigma Aldrich - 316768

Packaging
100 mL in Sure/Seal™