butan-2-yllithium

• ChemBase ID: 129423
• Molecular Formular: C4H9Li
• Molecular Mass: 64.05526
• Monoisotopic Mass: 64.08642984
• SMILES: [Li]C(C)CC
• Canonical SMILES: CCC(C)[Li]
• InChI: InChI=1S/C4H9.Li/c1-3-4-2;/h3H,4H2,1-2H3
• InChIKey: VATDYQWILMGLEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-2-yllithium
• IUPAC Systematic name: Butan-2-yllithium
• IUPAC Traditional name: sec-butyllithium
• Synonyms: Sec-Butyllithium; s-BuLi; Lithium-2-butanide; sec-Butyllithium solution; 2-丁基锂; 仲丁基锂 溶液

Database IDs

• CAS Number: 598-30-1
• EC Number: 209-927-7
• MDL Number: MFCD00009323
• Beilstein Number: 3587206
• PubChem SID: 162223717; 24851700
• PubChem CID: 102446
• Chemspider ID: 10254345
• Wikipedia Title: Sec-Butyllithium

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6137
• LogD (pH = 7.4): 1.6137
• Log P: 1.6137
• Molar Refractivity: 18.9539 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: 1.4 °F; -17 °C
• Density: 0.769 g/mL at 25 °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: 11-15-34-50/53-65-67
• 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-H304-H314-H336-H410
• GHS Precautionary statements: P210-P261-P273-P280-P301 + P310-P305 + P351 + P338
• 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: 1.4 M in cyclohexane
• Linear Formula: CH3CH2CH(CH3)Li

DETAILS

Sigma Aldrich - 195596

Packaging
4×25, 50, 100, 800 mL in Sure/Seal™