tribromogadolinium hydrate

• ChemBase ID: 138566
• Molecular Formular: Br3GdH2O
• Molecular Mass: 414.97728
• Monoisotopic Mass: 412.68967868
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromogadolinium hydrate
• IUPAC Traditional name: tribromogadolinium hydrate
• Synonyms: Gadolinium(III) bromide hydrate; 溴化钆(III) 水合物

Database IDs

• CAS Number: 30010-20-9
• EC Number: 237-494-4
• MDL Number: MFCD00150413
• PubChem SID: 162232820; 24868603
• PubChem CID: 16212942

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8053
• LogD (pH = 7.4): 2.8053
• Log P: 2.8053
• Molar Refractivity: 26.2056 cm^3
• Polarizability: 17.207388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Melting Point: 186 °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: 99.99% trace metals basis
• Linear Formula: GdBr3 · xH2O