lithiobis(propan-2-yl)amine; oxolane

• ChemBase ID: 147705
• Molecular Formular: C10H22LiNO
• Molecular Mass: 179.22878
• Monoisotopic Mass: 179.18614388
• SMILES: [Li]N(C(C)C)C(C)C.C1CCOC1
• Canonical SMILES: C1CCCO1.[Li]N(C(C)C)C(C)C
• InChI: InChI=1S/C6H14N.C4H8O.Li/c1-5(2)7-6(3)4;1-2-4-5-3-1;/h5-6H,1-4H3;1-4H2;/q-1;;+1
• InChIKey: YTJXGDYAEOTOCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithiobis(propan-2-yl)amine; oxolane
• IUPAC Traditional name: diisopropyl(lithio)amine; tetrahydrofuran
• Synonyms: Lithium diisopropylamide mono(tetrahydrofuran) solution; Lithium diisopropylamide mono(tetrahydrofuran) complex solution; 二异丙基酰胺锂单四氢呋喃 溶液; 二异丙基酰胺锂单四氢呋喃络合物 溶液

Database IDs

• CAS Number: 116912-61-9; 123333-84-6
• MDL Number: MFCD00012408
• Beilstein Number: 5894563
• PubChem SID: 24858590; 162241890; 24882231
• PubChem CID: 10997623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6576294
• LogD (pH = 7.4): 1.2812551
• Log P: 1.2994
• Molar Refractivity: 32.2282 cm^3
• Polarizability: 14.515772 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: orange liquid
• Flash Point: -.4 °F; -18 °C
• Density: 0.816 g/mL at 20 °C; 0.816 g/mL at 25 °C
• Vapor Density: >1 (vs air)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34-50/53-65-67
• Safety Statements: 16-26-36/37/39-45-61-62
• 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 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~1.5 M in cyclohexane; 1.5 M in cyclohexane
• Impurities: ~10% ethylbenzene
• Shelf Life: (limited shelf life)
• Linear Formula: [(CH3)2CH]2NLi · C4H8O
• Empirical Formula (Hill Notation): C10H22LiNO

DETAILS

Sigma Aldrich - 62495

Caution
may become turbid on storage or may contain precipitate
Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 307408

Other Notes
may contain a small amount of THF and ethylbenzene
Packaging
1 L in Sure/Seal™
100, 800 mL in Sure/Seal™
20, 100 L in steel drum