lithium(1+) ion propan-2-olate

• ChemBase ID: 147367
• Molecular Formular: C3H7LiO
• Molecular Mass: 66.02808
• Monoisotopic Mass: 66.06569439
• SMILES: [Li+].CC(C)[O-]
• Canonical SMILES: [O-]C(C)C.[Li+]
• InChI: InChI=1S/C3H7O.Li/c1-3(2)4;/h3H,1-2H3;/q-1;+1
• InChIKey: HAUKUGBTJXWQMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion propan-2-olate
• IUPAC Traditional name: lithium(1+) ion propan-2-olate
• Synonyms: Lithium 2-propanolate; Lithium isopropoxide; Lithium isopropoxide solution; 2-丙醇锂; 异丙醇锂; 异丙基锂; 异丙醇锂 溶液

Database IDs

• CAS Number: 2388-10-5
• MDL Number: MFCD00048286
• Beilstein Number: 3618614
• PubChem SID: 24865754; 162241555; 24861480; 24864909
• PubChem CID: 23673350

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder; Powder, Packaged under argon
• Boiling Point: 67 °C; 68-72 °C
• Flash Point: -16 °F; -19 °C; -2.2 °F; -27 °C
• Density: 0.69 g/mL at 25 °C; 0.897 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; 3206; UN3206
• German water hazard class: 3
• Hazard Class: 3; 4.2
• Packing Group: 2; II
• Risk Statements: 11-14-34; 11-19-34-37; 11-20/21/22-34-48; 34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45; 9-16-23-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H251-H314-H335; H251-H314
• GHS Precautionary statements: P210-P235 + P410-P261-P280-P305 + P351 + P338-P310; P210-P280-P303+P361+P353-P305+P351+P338-P310-P402+P404; P235 + P410-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; 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; UN 3206 4.2/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: 94%; 95%; 99.9% (metals basis)
• Concentration: 1.0 M in hexanes; 2.0 M in THF
• Linear Formula: (CH3)2CHOLi

DETAILS

Sigma Aldrich - 400327

Packaging
50 mL in Sure/Seal™

Sigma Aldrich - 411558

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 348937

Packaging
25 g in glass bottle