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126083-88-3 molecular structure
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1,2-dimethoxyethane; tribromoniobium

ChemBase ID: 145449
Molecular Formular: C4H10Br3NbO2
Molecular Mass: 422.73938
Monoisotopic Mass: 419.72946856
SMILES and InChIs

SMILES:
COCCOC.Br[Nb](Br)Br
Canonical SMILES:
Br[Nb](Br)Br.COCCOC
InChI:
InChI=1S/C4H10O2.3BrH.Nb/c1-5-3-4-6-2;;;;/h3-4H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKey:
XDLURHXPYYXULL-UHFFFAOYSA-K

Cite this record

CBID:145449 http://www.chembase.cn/molecule-145449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dimethoxyethane; tribromoniobium
IUPAC Traditional name
1,2-dimethoxyethane; tribromoniobium
Synonyms
Niobium(III) bromide ethylene glycol dimethyl ether complex
溴化铌(III)乙二醇二甲醚复合物
CAS Number
126083-88-3
MDL Number
MFCD00134306
PubChem SID
162239655
PubChem CID
71311161

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
365955 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311161 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.077573925  LogD (pH = 7.4) 0.077573925 
Log P 0.077573925  Molar Refractivity 24.056 cm3
Polarizability 9.497826 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)
Melting Point
155 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Linear Formula
NbBr3O2C4H10 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 365955 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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