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13450-84-5 molecular structure
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trichlorogadolinium hexahydrate

ChemBase ID: 130565
Molecular Formular: Cl3GdH12O6
Molecular Mass: 371.70068
Monoisotopic Mass: 370.89404914
SMILES and InChIs

SMILES:
O.O.O.O.O.O.Cl[Gd](Cl)Cl
Canonical SMILES:
Cl[Gd](Cl)Cl.O.O.O.O.O.O
InChI:
InChI=1S/3ClH.Gd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
InChIKey:
PNYPSKHTTCTAMD-UHFFFAOYSA-K

Cite this record

CBID:130565 http://www.chembase.cn/molecule-130565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trichlorogadolinium hexahydrate
IUPAC Traditional name
gadolinium chloride hexahydrate
Synonyms
Gadolinium(III) chloride hexahydrate
氯化钆(III) 六水合物
CAS Number
13450-84-5
EC Number
233-386-6
MDL Number
MFCD00149732
PubChem SID
24852159
24895315
162224843
PubChem CID
71308319

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71308319 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9035  LogD (pH = 7.4) 1.9035 
Log P 1.9035  Molar Refractivity 18.4089 cm3
Polarizability 13.458309 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
crystals and lumps expand Show data source
powder expand Show data source
Density
2.42 g/mL at 25 °C(lit.) expand Show data source
RTECS
LW4050000 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% (titration) expand Show data source
99.999% trace metals basis expand Show data source
Linear Formula
GdCl3 · 6H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G7532 external link
包装
5, 25 g in poly bottle
Sigma Aldrich - 203289 external link
Packaging
1 g in glass bottle
5, 25 g in poly bottle
Application
Employed in synthesis and NMR studies of the paramagnetic GdPCTA-[12] and GdPCTA-[13] complexes with possible use as contrast agents for magnetic resonance imaging.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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