lithium(1+) ion tris(tert-butoxy)alumanuide

• ChemBase ID: 135473
• Molecular Formular: C12H27AlLiO3
• Molecular Mass: 253.263518
• Monoisotopic Mass: 253.1935629
• SMILES: [Li+].CC(C)(C)O[Al-](OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CC(O[Al-](OC(C)(C)C)OC(C)(C)C)(C)C.[Li+]
• InChI: InChI=1S/3C4H9O.Al.Li/c3*1-4(2,3)5;;/h3*1-3H3;;/q3*-1;+2;+1
• InChIKey: FMSXILLOKUGXFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion tris(tert-butoxy)alumanuide
• IUPAC Traditional name: lithium(1+) ion tris(tert-butoxy)alumanuide
• Synonyms: Lithium tri-tert-butoxyaluminum hydride solution; Lithium aluminum-tri-tert-butoxyhydride; Lithium tri-tert-butoxyaluminum hydride; Lithium hydridotris(tert-butoxy)aluminate; Lithium tri-tert-butoxyaluminum hydride, nominally 1M in THF; 三叔丁氧基氢化铝锂 溶液; 氢化三叔丁醇铝酸锂; 三叔丁氧基氢化铝锂; 氢化三叔丁醇铝锂, 通常1M THF溶液, 氩气下可重封的ChemSeal™瓶包装

Database IDs

• CAS Number: 17476-04-9
• EC Number: 241-490-8
• MDL Number: MFCD00011532
• Beilstein Number: 5796791
• PubChem SID: 24854332; 24896329; 162229747; 24854741
• PubChem CID: 16688073

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2005
• LogD (pH = 7.4): 4.2005
• Log P: 4.2005
• Molar Refractivity: 63.3575 cm^3
• Polarizability: 27.776531 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: 300-319 °C (dec.)(lit.)
• Flash Point: 1.4 °F; -17 °C; -17°C(1°F); 35 °C; 95 °F
• Density: 0.904; 0.904 g/mL at 25 °C; 0.942 g/mL at 25 °C

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: OJ5585000
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 1409; 3399; UN3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 1; I
• Risk Statements: 11-14/15-19-34-37; 11-14/15-34; 14/15-34; 60-61-10-14/15-19-34
• Safety Statements: 16-26-36/37/39-43-45; 16-26-36/37/39-43-45-60; 16-26-36/37/39-45; 53-26-36/37/39-43-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314-H335; H225-H260-H314-H351-H335; H226-H260-H314-H360FD; H260-H314
• GHS Precautionary statements: P201-P223-P231 + P232-P280-P370 + P378-P422; P210-P223-P231 + P232-P261-P370 + P378-P422; P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A; P223-P231 + P232-P280-P305 + P351 + P338-P370 + P378-P422
• 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 1409 4.3/PG 1; UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.; Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Concentration: ~1.1 M in THF; 0.5 M in 2-methoxyethyl ether; 1.0 M in THF; nominally 1M in THF
• Grade: technical
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: LiAlH[OC(CH3)3]3

DETAILS

Sigma Aldrich - 241814

Packaging
100, 800 mL in Sure/Seal™
Application

• Reducing agent1

Sigma Aldrich - 245577

Packaging
100 mL in Sure/Seal™
Application

• Reducing agent1

Sigma Aldrich - L2904

Packaging
5, 25, 100 g in glass bottle
Application

• Reducing agent1

Sigma Aldrich - 62433

Caution
may become turbid on storage
Application

• Reducing agent1