lithium(1+) ion triethylboranuide

• ChemBase ID: 128094
• Molecular Formular: C6H15BLi
• Molecular Mass: 104.9353
• Monoisotopic Mass: 105.14268543
• SMILES: [Li+].CC[B-](CC)CC
• Canonical SMILES: CC[B-](CC)CC.[Li+]
• InChI: InChI=1S/C6H16B.Li/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
• InChIKey: WCJAYABJWDIZAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion triethylboranuide
• IUPAC Traditional name: lithium(1+) ion lithium triethylborohydride; lithium(1+) ion triethylboranuide
• Synonyms: Lithium triethylborohydride solution; Super-Hydride® solution; Lithium triethylborohydride solution; Superhydride; LiTEBH; Lithium triethylborohydride; Lithium triethylhydridoborate; Lithium triethylborohydride, 1M in THF; 三乙基硼氢化锂 溶液; Super-Hydride® 溶液; 三乙基硼氢化锂, 1M THF溶液; 三乙基硼氢化锂 溶液; 三乙基硼氢化锂, 1M THF溶液, 氩气下可重封的ChemSeal™瓶包装

Database IDs

• CAS Number: 22560-16-3
• MDL Number: MFCD00011703
• Beilstein Number: 4151240
• Merck Index: 145544
• PubChem SID: 24850649; 24882257; 162222408
• PubChem CID: 23712863; 2723993
• Chemspider ID: 2006168
• Wikipedia Title: Lithium_triethylborohydride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2587
• LogD (pH = 7.4): 1.2587
• Log P: 1.2587
• Molar Refractivity: 31.1477 cm^3
• Polarizability: 14.245001 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: reactive in water
• Apperance: Colorless to yellow liquid; Liquid
• Boiling Point: 66 °C for THF
• Flash Point: 1.4 °F; -17 °C; -17°C(1°F)
• Density: 0.890 g/cm^3, liquid; 0.892; 0.892 g/mL at 25 °C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399; UN3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 1; I
• Risk Statements: 11-14/15-19-34; 11-14/15-19-34-37
• Safety Statements: 16-26-33-36/37/39-43-45; 16-26-36/37/39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• Main Hazard: highly flammable; corrosive; Causes burns; Probable Carcinogen
• NFPA704:
  

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• GHS Hazard statements: H225-H260-H314-H318; H225-H260-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422; P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I-P402+P404
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1 M in THF; 1.0 M lithium triethylborohydride in THF; 1M in THF
• Grade: purum
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: Li(C2H5)3BH

DETAILS

Sigma Aldrich - 179728

Application
Alkynyl alcohols from cleavage of cyclic keto-vinyl triflates.1
General description
Superhydride.2
Packaging
100, 800 mL in Sure/Seal™
8, 18 L in Kilo-Lab™
View returnable container options.
Legal Information
Super-Hydride is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 62616

Other Notes
Powerful and selective reducing agent, a review1,2,3