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29843-90-1 molecular structure
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tribromoneodymium hydrate

ChemBase ID: 138669
Molecular Formular: Br3H2NdO
Molecular Mass: 401.96728
Monoisotopic Mass: 396.67329868
SMILES and InChIs

SMILES:
O.Br[Nd](Br)Br
Canonical SMILES:
Br[Nd](Br)Br.O
InChI:
InChI=1S/3BrH.Nd.H2O/h3*1H;;1H2/q;;;+3;/p-3
InChIKey:
SFCFUTJPVPUQMY-UHFFFAOYSA-K

Cite this record

CBID:138669 http://www.chembase.cn/molecule-138669.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tribromoneodymium hydrate
IUPAC Traditional name
tribromoneodymium hydrate
Synonyms
Neodymium(III) bromide hydrate
溴化钕(III) 水合物
CAS Number
29843-90-1
EC Number
236-897-2
MDL Number
MFCD00748137
PubChem SID
24878805
162232920
PubChem CID
16217074

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
545058 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217074 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8053  LogD (pH = 7.4) 2.8053 
Log P 2.8053  Molar Refractivity 26.2056 cm3
Polarizability 16.852459 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
5.3 g/mL at 25 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99.999% expand Show data source
Linear Formula
NdBr3 · xH20 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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