propan-2-yllithium

• ChemBase ID: 147480
• Molecular Formular: C3H7Li
• Molecular Mass: 50.02868
• Monoisotopic Mass: 50.07077977
• SMILES: [Li]C(C)C
• Canonical SMILES: [Li]C(C)C
• InChI: InChI=1S/C3H7.Li/c1-3-2;/h3H,1-2H3
• InChIKey: HDSLTIHESBGENB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yllithium
• IUPAC Traditional name: isopropyllithium
• Synonyms: Isopropyllithium solution; 异丙基锂 溶液

Database IDs

• CAS Number: 1888-75-1
• EC Number: 217-561-4
• MDL Number: MFCD02093613
• PubChem SID: 162241668; 24877705
• PubChem CID: 74678

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2174
• LogD (pH = 7.4): 1.2174
• Log P: 1.2174
• Molar Refractivity: 14.3529 cm^3
• Polarizability: 7.4900904 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35-36 °C
• Flash Point: -31 °F; -35 °C
• Density: 0.632 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 12-14-20/22-34
• Safety Statements: 16-33-36/37/39-45
• RID/ADR: UN 2924 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.7 M in pentane
• Linear Formula: (CH3)2CHLi

DETAILS

Sigma Aldrich - 529745

Application
Used in a study of the alkylative ring opening of N-sulfonyl protected aziridines providing amino alcohols and ethers.1
Packaging
1 L in Sure/Seal™
4×25, 100 mL in Sure/Seal™