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123439-81-6 molecular structure
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lithium(1+) ion bis(oxolane) alumanuide

ChemBase ID: 137713
Molecular Formular: C8H16AlLiO2
Molecular Mass: 178.133978
Monoisotopic Mass: 178.11257293
SMILES and InChIs

SMILES:
[Li+].C1CCOC1.C1CCOC1.[Al-]
Canonical SMILES:
C1CCCO1.C1CCCO1.[Li+].[Al-]
InChI:
InChI=1S/2C4H8O.Al.Li/c2*1-2-4-5-3-1;;/h2*1-4H2;;/q;;-1;+1
InChIKey:
PSDMEKBOGLCNFU-UHFFFAOYSA-N

Cite this record

CBID:137713 http://www.chembase.cn/molecule-137713.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion bis(oxolane) alumanuide
IUPAC Traditional name
lithium(1+) ion bis(tetrahydrofuran) alumanuide
Synonyms
Lithium aluminum hydride bis(tetrahydrofuran) solution
锂铝氢化物二(四氢呋喃) 溶液
CAS Number
123439-81-6
MDL Number
MFCD00064499
PubChem SID
24854642

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 243949 external link Add to cart
Data Source Data ID Price
Sigma Aldrich
243949 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.53034693  LogD (pH = 7.4) 0.53034693 
Log P 0.53034693  Molar Refractivity 20.5535 cm3
Polarizability 8.060449 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
44.6 °F expand Show data source
7 °C expand Show data source
Density
0.875 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
63-11-14/15-35-48/20-65-67 expand Show data source
Safety Statements
16-26-36/37/39-43-45-62 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H260-H304-H314-H336-H361d-H373 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
Reacts violently with water. expand Show data source
Concentration
1.0 M in toluene expand Show data source
Empirical Formula (Hill Notation)
C8H20AlLiO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 243949 external link
Packaging
100, 800 mL in Sure/Seal™
Application

• Reducing agent for preparation of of indazole- and benzisoxazole-isoindolines toward use in treatment of psychiatric disorders1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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