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22560-16-3 molecular structure
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22560-16-3 molecular structure
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lithium(1+) ion triethylboranuide

ChemBase ID: 128094
Molecular Formular: C6H15BLi
Molecular Mass: 104.9353
Monoisotopic Mass: 105.14268543
SMILES and InChIs

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

Cite this record

CBID:128094 http://www.chembase.cn/molecule-128094.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 179728 external link Add to cart 62616 external link Add to cart
Alfa Aesar 89144 external link Add to cart 42491 external link Add to cart
PubChem 23712863 external link
Wikipedia Lithium_triethylborohydride external link
Data Source Data ID Price
Sigma Aldrich
179728 external link Add to cart Please log in.
62616 external link Add to cart Please log in.
Alfa Aesar
89144 external link Add to cart Please log in.
42491 external link Add to cart Please log in.
Data Source Data ID
PubChem 23712863 external link
Wikipedia Lithium_triethylborohydride external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
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 cm3
Polarizability 14.245001 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 3  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
reactive in water expand Show data source
Apperance
Colorless to yellow liquid expand Show data source
Liquid expand Show data source
Boiling Point
66 °C for THF expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
-17°C(1°F) expand Show data source
Density
0.890 g/cm3, liquid expand Show data source
0.892 expand Show data source
0.892 g/mL at 25 °C expand Show data source
Storage Warning
Moisture Sensitive 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
UN3399 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
11-14/15-19-34 expand Show data source
11-14/15-19-34-37 expand Show data source
Safety Statements
16-26-33-36/37/39-43-45 expand Show data source
16-26-36/37/39-43-45 expand Show data source
TSCA Listed
否 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
Main Hazard
highly flammable
corrosive
Causes burns
Probable Carcinogen 		expand Show data source
NFPA704
NFPA 704 diagram
2
3
2
W
 expand Show data source
GHS Hazard statements
H225-H260-H314-H318 expand Show data source
H225-H260-H314-H335 expand Show data source
GHS Precautionary statements
P210-P223-P231 + P232-P261-P370 + P378-P422 expand Show data source
P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I-P402+P404 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter 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 M in THF expand Show data source
1.0 M lithium triethylborohydride in THF expand Show data source
1M in THF expand Show data source
Grade
purum expand Show data source
Packaging
packaged under Argon in resealable ChemSeal? bottles expand Show data source
Linear Formula
Li(C2H5)3BH expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Wikipedia.org - Lithium_triethylborohydride external link
Sigma Aldrich - 179728 external link
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 external link
Other Notes
Powerful and selective reducing agent, a review1,2,3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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