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16454-60-7 molecular structure
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neodymium(3+) ion hexahydrate trinitrate

ChemBase ID: 140643
Molecular Formular: H12N3NdO15
Molecular Mass: 438.34638
Monoisotopic Mass: 435.9345647
SMILES and InChIs

SMILES:
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Nd+3]
Canonical SMILES:
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.O.[Nd+3]
InChI:
InChI=1S/3NO3.Nd.6H2O/c3*2-1(3)4;;;;;;;/h;;;;6*1H2/q3*-1;+3;;;;;;
InChIKey:
VQVDTKCSDUNYBO-UHFFFAOYSA-N

Cite this record

CBID:140643 http://www.chembase.cn/molecule-140643.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
neodymium(3+) ion hexahydrate trinitrate
IUPAC Traditional name
neodymium(3+) ion hexahydrate trinitrate
Synonyms
Neodymium(III) nitrate hexahydrate
硝酸钕(III) 六水合物
硝酸钕(III)六水合物
CAS Number
16454-60-7
EC Number
233-153-9
MDL Number
MFCD00149799
Merck Index
146450
PubChem SID
162234884
24857392
PubChem CID
204494

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 204494 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.3999903  H Acceptors
H Donor LogD (pH = 5.5) 0.8368004 
LogD (pH = 7.4) 0.8368004  Log P 0.8368004 
Molar Refractivity 8.3471 cm3 Polarizability 3.4222581 Å3
Polar Surface Area 66.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
crystalline expand Show data source
Crystalline expand Show data source
Melting Point
ca 40°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
OJ6125000 expand Show data source
QP0175000 expand Show data source
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1465 expand Show data source
UN1477 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
8-36/37/38 expand Show data source
Safety Statements
17-26-36/37/39 expand Show data source
17-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H272-H315-H319-H335 expand Show data source
H272-H315-H319-H335-H303 expand Show data source
GHS Precautionary statements
P220-P261-P305 + P351 + P338 expand Show data source
P221-P210-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, 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 1465 5.1/PG 3 expand Show data source
Purity
99.9% (REO) expand Show data source
99.9% trace metals basis expand Show data source
Linear Formula
Nd(NO3)3 · 6H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 289175 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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