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30010-20-9 molecular structure
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tribromogadolinium hydrate

ChemBase ID: 138566
Molecular Formular: Br3GdH2O
Molecular Mass: 414.97728
Monoisotopic Mass: 412.68967868
SMILES and InChIs

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

Cite this record

CBID:138566 http://www.chembase.cn/molecule-138566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tribromogadolinium hydrate
IUPAC Traditional name
tribromogadolinium hydrate
Synonyms
Gadolinium(III) bromide hydrate
溴化钆(III) 水合物
CAS Number
30010-20-9
EC Number
237-494-4
MDL Number
MFCD00150413
PubChem SID
162232820
24868603
PubChem CID
16212942

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
451118 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212942 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 17.207388 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)
Apperance
powder and chunks expand Show data source
Melting Point
186 °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
99.99% trace metals basis expand Show data source
Linear Formula
GdBr3 · xH2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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