tert-butyllithium

• ChemBase ID: 110379
• Molecular Formular: C4H9Li
• Molecular Mass: 64.05526
• Monoisotopic Mass: 64.08642984
• SMILES: [Li]C(C)(C)C
• Canonical SMILES: [Li]C(C)(C)C
• InChI: InChI=1S/C4H9.Li/c1-4(2)3;/h1-3H3
• InChIKey: BKDLGMUIXWPYGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyllithium
• IUPAC Traditional name: tert-butyllithium
• Synonyms: T-BUTYL LITHIUM, SOLUTION IN HYDROCARBON; Tert-Butyllithium; t-BuLi; Lithium-2-methyl-2-propanide; tert-Butyllithium solution; tert-Butyllithium, nominally 1.5M in n-pentane; 叔丁基锂, 通常 1.5M正戊烷溶液; 2-甲基-2-丙基锂; 叔丁基锂 溶液; 叔丁基锂 通常ly 1.5M 戊烷溶液, 氩气下可重封的ChemSeal™瓶包装

Database IDs

• CAS Number: 594-19-4
• EC Number: 209-831-5
• MDL Number: MFCD00008795
• Beilstein Number: 3587204
• PubChem SID: 162096434; 24851206; 24889995; 24852028
• PubChem CID: 638178
• Chemspider ID: 10254347
• MeSH Name: n-butyllithium
• Wikipedia Title: Tert-Butyllithium

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.405
• LogD (pH = 7.4): 1.405
• Log P: 1.405
• Molar Refractivity: 18.8093 cm^3
• Polarizability: 9.328749 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: Colorless solid; Liquid
• Boiling Point: 36 - 40°C
• Flash Point: 24.8 °F; -4 °C; -49 °C; -56 °F; -56.2 °F; -59°C(-74°F); -6.6 °C
• Density: 0.65 g/mL at 20 °C; 0.652; 0.652 g/mL at 25 °C; 0.69 g/mL at 20 °C; 660 mg cm^-3
• Vapor Density: ~3 (vs air)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X
• UN Number: 3394; UN3394
• German water hazard class: 1; 2
• Hazard Class: 4.2
• Packing Group: 1; I
• Risk Statements: 11-14/15-17-34-50/53-65-67; 11-14/15-17-34-51/53-65-66-67; 11-15-17-34-51/53-65-66-67; 11-15-17-34-51/53-65-67; R11, R15, R17, R34, R51/53, R65, R66, R67, R50/53, R38
• Safety Statements: 16-26-36/37/39-43.11-45-61-62; 26-36/37/39-43-45-61-62; 9-16-23-26-36/37/39-43-45-57; 9-16-26-36/37/39-45; S26, S36/37/39, S43, S45, S62, S61, S16, S33
• TSCA Listed: 是
• GHS Pictograms: GHS corrosion; GHS environment; GHS exclamation mark; GHS flame; GHS health hazard; GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  3

  3

  4

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• GHS Hazard statements: 225, 250, 260, 304, 314, 336, 411; H225-H250-H260-H304-H314-H336-H410; H225-H250-H260-H304-H314-H336-H411; H250-H260-H304-H314-H336-H411-H401
• GHS Precautionary statements: 210, 222, 223, 231+232, 370+378, 422; P210-P222-P223-P231 + P232-P370 + P378-P422; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P422A-P501A
• 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: ~1.7 M in pentane; 1.5 M in pentane; 1.6-3.2 M in heptane; 1.7 M in pentane; nominally 1.5M in n-pentane
• Grade: technical
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Shelf Life: (limited shelf life)
• Linear Formula: (CH3)3CLi

DETAILS

MP Biomedicals - 05214777

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 186198

Packaging
4×25, 100, 800 mL in Sure/Seal™
8 L in Kilo-Lab™
View returnable container options.

Sigma Aldrich - 94439

General description
recommended storage temperature 15°C
Other Notes
decomp. rate (at room temperature) 0.02-0.1% per day
Packaging
100 mL in PVC coated

Sigma Aldrich - 456721

Packaging
Packaged under nitrogen in Sure/Seal™ bottles
Legal Information
Sure/Seal is a trademark of Sigma-Aldrich Co. LLC