lithium(1+) ion bis(oxolane) alumanuide

• ChemBase ID: 137713
• Molecular Formular: C8H16AlLiO2
• Molecular Mass: 178.133978
• Monoisotopic Mass: 178.11257293
• SMILES: [Li+].C1CCOC1.C1CCOC1.[Al-]
• Canonical SMILES: C1CCCO1.C1CCCO1.[Li+].[Al-]
• InChI: InChI=1S/2C4H8O.Al.Li/c2*1-2-4-5-3-1;;/h2*1-4H2;;/q;;-1;+1
• InChIKey: PSDMEKBOGLCNFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion bis(oxolane) alumanuide
• IUPAC Traditional name: lithium(1+) ion bis(tetrahydrofuran) alumanuide
• Synonyms: Lithium aluminum hydride bis(tetrahydrofuran) solution; 锂铝氢化物二(四氢呋喃) 溶液

Database IDs

• CAS Number: 123439-81-6
• MDL Number: MFCD00064499
• PubChem SID: 24854642

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53034693
• LogD (pH = 7.4): 0.53034693
• Log P: 0.53034693
• Molar Refractivity: 20.5535 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 44.6 °F; 7 °C
• Density: 0.875 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 63-11-14/15-35-48/20-65-67
• Safety Statements: 16-26-36/37/39-43-45-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H304-H314-H336-H361d-H373
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Concentration: 1.0 M in toluene
• Empirical Formula (Hill Notation): C8H20AlLiO2

DETAILS

Sigma Aldrich - 243949

Packaging
100, 800 mL in Sure/Seal™
Application

• Reducing agent for preparation of of indazole- and benzisoxazole-isoindolines toward use in treatment of psychiatric disorders1