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22560-21-0 molecular structure
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potassium triethylboranuide

ChemBase ID: 149700
Molecular Formular: C6H15BK
Molecular Mass: 137.0926
Monoisotopic Mass: 137.09038756
SMILES and InChIs

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

Cite this record

CBID:149700 http://www.chembase.cn/molecule-149700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
22560-21-0
MDL Number
MFCD00011702
PubChem SID
24852782
162243862
PubChem CID
23692628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
213438 external link Add to cart Please log in.
Data Source Data ID
PubChem 23692628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2587  LogD (pH = 7.4) 1.2587 
Log P 1.2587  Molar Refractivity 31.1477 cm3
Polarizability 14.245001 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.902 g/mL at 25 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
11-14/15-19-34-37 expand Show data source
Safety Statements
16-26-36/37/39-43-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H260-H314-H335 expand Show data source
GHS Precautionary statements
P210-P223-P231 + P232-P261-P370 + P378-P422 expand Show data source
RID/ADR
UN 3399 4.3/PG 1 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Reacts violently with water. expand Show data source
Concentration
1.0 M in THF expand Show data source
Linear Formula
KB(C2H5)3H expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 213438 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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