lithium(1+) ion (2H3)methyllithium iodide

• ChemBase ID: 139007
• Molecular Formular: CH3ILi2
• Molecular Mass: 155.82099
• Monoisotopic Mass: 155.9599572
• SMILES: C[Li].[Li+].[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 (^2H₃)methyllithium iodide
• IUPAC Traditional name: lithium(1+) ion (^2H₃)methyllithium iodide
• Synonyms: Methyl-d3-lithium, as complex with lithium iodide solution; 甲基-d3-锂，与碘化锂络合 溶液

Database IDs

• MDL Number: MFCD00075574
• PubChem SID: 162233258; 24863016
• PubChem CID: 10953797

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

• Flash Point: -40 °C; -40 °F
• Density: 0.816 g/mL at 25 °C
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3394
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 11-19-22-66-67
• Safety Statements: 16
• 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
• RID/ADR: UN 3394 4.2/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 0.5 M in diethyl ether
• Isotopic Purity: 99 atom % D
• Linear Formula: CD3Li · LiI

DETAILS

Sigma Aldrich - 372080

Packaging
50 mL in Sure/Seal™
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.