tribromoneodymium hydrate

• ChemBase ID: 138669
• Molecular Formular: Br3H2NdO
• Molecular Mass: 401.96728
• Monoisotopic Mass: 396.67329868
• SMILES: O.Br[Nd](Br)Br
• Canonical SMILES: Br[Nd](Br)Br.O
• InChI: InChI=1S/3BrH.Nd.H2O/h3*1H;;1H2/q;;;+3;/p-3
• InChIKey: SFCFUTJPVPUQMY-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromoneodymium hydrate
• IUPAC Traditional name: tribromoneodymium hydrate
• Synonyms: Neodymium(III) bromide hydrate; 溴化钕(III) 水合物

Database IDs

• CAS Number: 29843-90-1
• EC Number: 236-897-2
• MDL Number: MFCD00748137
• PubChem SID: 24878805; 162232920
• PubChem CID: 16217074

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: 16.852459 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 5.3 g/mL at 25 °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: 99.999%
• Linear Formula: NdBr3 · xH20