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16469-17-3 molecular structure
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neodymiumtriol

ChemBase ID: 139470
Molecular Formular: H3NdO3
Molecular Mass: 195.26202
Monoisotopic Mass: 192.91594196
SMILES and InChIs

SMILES:
O[Nd](O)O
Canonical SMILES:
O[Nd](O)O
InChI:
InChI=1S/Nd.3H2O/h;3*1H2/q+3;;;/p-3
InChIKey:
ZBAQHMBLDSQPHC-UHFFFAOYSA-K

Cite this record

CBID:139470 http://www.chembase.cn/molecule-139470.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
neodymiumtriol
IUPAC Traditional name
neodymiumtriol
Synonyms
Neodymium(III) hydroxide hydrate
氢氧化钕(III) 水合物
CAS Number
16469-17-3
EC Number
240-514-4
MDL Number
MFCD00049758
PubChem SID
24881159
162233718
PubChem CID
16217370

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
587109 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217370 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.49945  H Acceptors
H Donor LogD (pH = 5.5) -1.6086001 
LogD (pH = 7.4) -1.6086  Log P -1.6086 
Molar Refractivity 7.6938 cm3 Polarizability 9.484863 Å3
Polar Surface Area 60.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder and chunks expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3262 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
3 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 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 3262 8/PG 3 expand Show data source
Purity
99.995% trace metals basis expand Show data source
Linear Formula
Nd(OH)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 587109 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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