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3236-82-6 molecular structure
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3236-82-6 molecular structure
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pentaethoxyniobium

ChemBase ID: 128608
Molecular Formular: C10H25NbO5
Molecular Mass: 318.20888
Monoisotopic Mass: 318.0765769
SMILES and InChIs

SMILES:
 CCO[Nb](OCC)(OCC)(OCC)OCC
Canonical SMILES:
 CCO[Nb](OCC)(OCC)(OCC)OCC
InChI:
 InChI=1S/5C2H5O.Nb/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5
InChIKey:
 ZTILUDNICMILKJ-UHFFFAOYSA-N

Cite this record

CBID:128608 http://www.chembase.cn/molecule-128608.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pentaethoxyniobium
IUPAC Traditional name
pentaethoxyniobium
Synonyms
NbOEt
Niobium ethanolate
Niobium ethylate
Niobium pentaethoxide
Pentaethoxyniobium
Niobium(V) ethoxide
Niobium(V) ethoxide
Niobium(V) ethylate
乙醇铌(V)
CAS Number
3236-82-6
EC Number
221-795-2
MDL Number
MFCD00015122
Beilstein Number
3678883
PubChem SID
24860621
162222915
PubChem CID
520571
Chemspider ID
21241198
Wikipedia Title
Niobium(V)_ethoxide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 339202 external link Add to cart J100036 external link Add to cart 72518 external link Add to cart
Alfa Aesar L16031 external link Add to cart
Wikipedia Niobium(V)_ethoxide external link
PubChem 520571 external link
Data Source Data ID Price
Sigma Aldrich
339202 external link Add to cart Please log in.
J100036 external link Add to cart Please log in.
72518 external link Add to cart Please log in.
Alfa Aesar
L16031 external link Add to cart Please log in.
Data Source Data ID
Wikipedia Niobium(V)_ethoxide external link
PubChem 520571 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 5  H Donor 0 
LogD (pH = 5.5) 2.671  LogD (pH = 7.4) 2.671 
Log P 2.671  Molar Refractivity 58.9775 cm3
Polarizability 27.977299 Å3 Polar Surface Area 46.15 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
N/A; reacts with water expand Show data source
Apperance
liquid expand Show data source
white solid expand Show data source
Melting Point
5°C expand Show data source
5-6 °C(lit.) expand Show data source
6°C expand Show data source
Boiling Point
140-142°C/0.1mm expand Show data source
142 °C/0.1 mmHg(lit.) expand Show data source
203°C expand Show data source
Flash Point
36 °C expand Show data source
36°C(97°F) expand Show data source
96.8 °F expand Show data source
97 °F expand Show data source
Density
1.258 expand Show data source
1.258 g cm−3 expand Show data source
1.268 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5160 expand Show data source
n20/D 1.516(lit.) expand Show data source
Std enthalpy of combustion
−6872.6 ± 1.7 kJ mol−1 expand Show data source
Std enthalpy of formation
−1583.9 ± 2.7 kJ mol−1 expand Show data source
Transition Temperature
solidification point 6 °C(lit.) expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2920 expand Show data source
UN2924 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
10-34 expand Show data source
R10,R34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
S26,S36,S37,S39,S45 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
1
1
1
COR
 expand Show data source
GHS Hazard statements
H226-H314 expand Show data source
H314-H318-H226 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 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 2920 8/PG 2 expand Show data source
Purity
99.9% (metals basis) expand Show data source
99.95% trace metals basis expand Show data source
99.999% expand Show data source
Grade
electronic grade expand Show data source
puriss. expand Show data source
Linear Formula
Nb(OCH2CH3)5 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Wikipedia.org - Niobium(V)_ethoxide external link
Sigma Aldrich - 339202 external link
Packaging
5, 50 g in glass bottle
Sigma Aldrich - J100036 external link
General description
Please inquire for quantity, pricing, and packaging options.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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