gadoliniumtriol hydrate

• ChemBase ID: 148560
• Molecular Formular: GdH5O4
• Molecular Mass: 226.2873
• Monoisotopic Mass: 226.94288664
• SMILES: O.O[Gd](O)O
• Canonical SMILES: O[Gd](O)O.O
• InChI: InChI=1S/Gd.4H2O/h;4*1H2/q+3;;;;/p-3
• InChIKey: XPLNUMUBAPCAEW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: gadoliniumtriol hydrate
• IUPAC Traditional name: gadoliniumtriol hydrate
• Synonyms: Gadolinium(III) hydroxide hydrate; 氢氧化钆(III) 水合物

Database IDs

• CAS Number: 100634-91-1
• EC Number: 240-516-5
• MDL Number: MFCD00269821
• PubChem SID: 162242735; 24873870
• PubChem CID: 16213753

CALCULATED PROPERTIES

• Acid pKa: 18.556353
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.6086001
• LogD (pH = 7.4): -1.6086
• Log P: -1.6086
• Molar Refractivity: 7.6938 cm^3
• Polarizability: 9.837696 Å^3
• Polar Surface Area: 60.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Melting Point: >350 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.9% trace metals basis
• Linear Formula: Gd(OH)3 · xH2O

DETAILS

Sigma Aldrich - 516198

Packaging
10 g in glass bottle