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Molecule
ID:130565
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
Cl₃GdH₁₂O₆
Molecular Mass
371.70068
Exact Mass
370.89404914
Charge
0
InChI
InChI=1S/3ClH.Gd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
InChIKey
PNYPSKHTTCTAMD-UHFFFAOYSA-K
Canonic Smiles
Cl[Gd](Cl)Cl.O.O.O.O.O.O
Isomeric Smiles
O.O.O.O.O.O.Cl[Gd](Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9035
LogD (pH = 7.4)
1.9035
Log P
1.9035
Molar Refractivity
18.4089
Polarizability
13.458309
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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RDKit
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IUPAC name
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IUPAC Traditional name
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Molecular Spectra
Molecule Details
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Sigma Aldrich
References
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
G7532
203289
Academic Data
PubChem
71308319
Names and Identifiers
Synonyms
Gadolinium(III) chloride hexahydrate
氯化钆(III) 六水合物
IUPAC name
trichlorogadolinium hexahydrate
IUPAC Traditional name
gadolinium chloride hexahydrate
Registration numbers
PubChem SID
24895315
24852159
162224843
CAS Number
13450-84-5
MDL Number
MFCD00149732
EC Number
233-386-6
PubChem CID
71308319
Molecule Details
Sigma Aldrich
G7532
包装
5, 25 g in poly bottle
203289
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
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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PubChem SID
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CAS Number
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MDL Number
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EC Number
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PubChem CID
Properties
Safety Information
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
LW4050000
Source
Irritant (Xi)
26
-
36
Source
36/37/38
Source
Warning
Source
H315
-
H319
-
H335
Source
P261
-
P305+P351+P338
Source
dust mask type N95 (US), Eyeshields, Gloves
Source
3
Source
Download link
Source
Physical Property
powder
Source
crystals and lumps
Source
2.42 g/mL at 25 °C(lit.)
Source
Product Information
99% (titration)
Source
99.999% trace metals basis
Source
GdCl3 · 6H2O
Source
Source
RTECS
European Hazard Symbols
Safety Statements
Risk Statements
GHS Signal Word
GHS Hazard statements
GHS Precautionary statements
Personal Protective Equipment
German water hazard class
MSDS Link
Apperance
Density
Purity
Linear Formula