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24363-37-9 molecular structure
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bis(propan-2-yloxy)barium

ChemBase ID: 139862
Molecular Formular: C6H14BaO2
Molecular Mass: 255.50116
Monoisotopic Mass: 256.00462669
SMILES and InChIs

SMILES:
CC(C)O[Ba]OC(C)C
Canonical SMILES:
CC(O[Ba]OC(C)C)C
InChI:
InChI=1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKey:
CPUJSIVIXCTVEI-UHFFFAOYSA-N

Cite this record

CBID:139862 http://www.chembase.cn/molecule-139862.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(propan-2-yloxy)barium
IUPAC Traditional name
diisopropoxybarium
Synonyms
Barium isopropoxide
异丙氧基钡
CAS Number
24363-37-9
MDL Number
MFCD00050486
PubChem SID
162234110
24868500
24860614
PubChem CID
4456486

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4456486 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6946  LogD (pH = 7.4) 1.6946 
Log P 1.6946  Molar Refractivity 32.4286 cm3
Polarizability 18.593346 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
solid expand Show data source
Melting Point
200 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
3205 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
4.2 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/22 expand Show data source
Safety Statements
28 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H252-H302-H332 expand Show data source
GHS Precautionary statements
P235 + P410 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3205 4.2/PG 3 expand Show data source
Purity
99.9% trace metals basis expand Show data source
Grade
technical grade expand Show data source
Linear Formula
Ba(OCH(CH3)2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 449679 external link
Packaging
2, 10 g in glass bottle
Application
For preparation of bimetallic Ba-Nb and Ba-Zr alkoxides.1 Asymmetric aldol reactions are promoted by a novel catalyst prepared from Ba(O-i-Pr)2.2
Sigma Aldrich - 339148 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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