potassium triethylboranuide

• ChemBase ID: 149700
• Molecular Formular: C6H15BK
• Molecular Mass: 137.0926
• Monoisotopic Mass: 137.09038756
• SMILES: [B-](CC)(CC)CC.[K+]
• Canonical SMILES: CC[B-](CC)CC.[K+]
• InChI: InChI=1S/C6H16B.K/c1-4-7(5-2)6-3;/h7H,4-6H2,1-3H3;/q-1;+1
• InChIKey: MFRDRDKPANBWOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium triethylboranuide
• IUPAC Traditional name: potassium lithium triethylborohydride
• Synonyms: Potassium hydrotriethylborate; Potassium triethylhydridoborate; Potassium triethylborohydride solution; 三乙基氢硼化钾 溶液

Database IDs

• CAS Number: 22560-21-0
• MDL Number: MFCD00011702
• PubChem SID: 24852782; 162243862
• PubChem CID: 23692628

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

• Flash Point: 1.4 °F; -17 °C
• Density: 0.902 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: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1.0 M in THF
• Linear Formula: KB(C2H5)3H

DETAILS

Sigma Aldrich - 213438

Packaging
100 mL in Sure/Seal™
Application

• Reducing agent for synthesis of PtNi intermetallic nanoparticle catalysts with electrocatalytic activity1
• Reducing agent for preparation of vanadium nanoparticles (~7 nm) stabilized on activated carbon2Reagent for:
• Preparation of lithium, sodium, and potassium boron monohydride complexes with tetramethylethylenediamine and pentamethyldiethylenetriamine3
• Dehydrogenation reactions4
• Tandem nucleophilic addition/C-C bond cleaving fragmentation reactions with cyclic vinylogous acyl triflates5
• Preparation of coordinatively unsaturated pseudotetrahedral iron(II) precursors as precatalysts for the room-temperature hydrogenation of unsaturated hydrocarbons6
• Substitution reactions7