(2-methylpropyl)lithium

• ChemBase ID: 134491
• Molecular Formular: C4H9Li
• Molecular Mass: 64.05526
• Monoisotopic Mass: 64.08642984
• SMILES: [Li]CC(C)C
• Canonical SMILES: [Li]CC(C)C
• InChI: InChI=1S/C4H9.Li/c1-4(2)3;/h4H,1H2,2-3H3
• InChIKey: YZLMQRULZXAMEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)lithium
• IUPAC Traditional name: (2-methylpropyl)lithium
• Synonyms: Lithium 2-methyl-1-propanide; Isobutyllithium solution; 2-甲基-1-丙基锂; 异丁基锂 溶液

Database IDs

• CAS Number: 920-36-5
• MDL Number: MFCD01863085
• Beilstein Number: 4450775
• PubChem SID: 24881099; 162228767
• PubChem CID: 2734901

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4217
• LogD (pH = 7.4): 1.4217
• Log P: 1.4217
• Molar Refractivity: 19.2655 cm^3
• Polarizability: 9.328749 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 24.8 °F; -4 °C
• Density: 0.69 g/mL at 20 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 3394
• German water hazard class: 2
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 11-14/15-17-34-50/53-65-67
• Safety Statements: 26-36/37/39-43-45-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H304-H314-H336-H410
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~16% in heptane (~1.7 M)
• Grade: technical
• Linear Formula: (CH3)2CHCH2Li

DETAILS

Sigma Aldrich - 58565

Packaging
100 mL in Sure/Seal™