tribromosamarium hexahydrate

• ChemBase ID: 138252
• Molecular Formular: Br3H12O6Sm
• Molecular Mass: 498.16368
• Monoisotopic Mass: 496.7381311
• SMILES: O.O.O.O.O.O.Br[Sm](Br)Br
• Canonical SMILES: Br[Sm](Br)Br.O.O.O.O.O.O
• InChI: InChI=1S/3BrH.6H2O.Sm/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3
• InChIKey: LXJDCZVUWJNXRL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromosamarium hexahydrate
• IUPAC Traditional name: tribromosamarium hexahydrate
• Synonyms: Samarium(III) bromide hexahydrate; 溴化钐(III) 六水合物

Database IDs

• CAS Number: 13517-12-9
• EC Number: 237-347-4
• MDL Number: MFCD00192430
• PubChem SID: 162232509
• PubChem CID: 71310123

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: 17.029913 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

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%
• Linear Formula: SmBr3 · 6H2O