dibromocalcium

• ChemBase ID: 135495
• Molecular Formular: Br2Ca
• Molecular Mass: 199.886
• Monoisotopic Mass: 197.79926498
• SMILES: [Ca](Br)Br
• Canonical SMILES: Br[Ca]Br
• InChI: InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2
• InChIKey: WGEFECGEFUFIQW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromocalcium
• IUPAC Traditional name: dibromocalcium
• Synonyms: Hydrobromic acid calcium salt; Calcium bromide; 溴化钙

Database IDs

• CAS Number: 7789-41-5
• MDL Number: MFCD00010902
• PubChem SID: 24865875; 162229769
• PubChem CID: 24608

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3702
• LogD (pH = 7.4): 1.3702
• Log P: 1.3702
• Molar Refractivity: 17.4704 cm^3
• Polarizability: 9.754955 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetone: slightly soluble; ethanol: slightly soluble
• Apperance: beads
• Melting Point: 742 °C(lit.)
• Boiling Point: 1815 °C/1 atm(lit.)
• Density: 3.353 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315

Product Information

• Purity: 96%; 99.98% trace metals basis
• Grade: anhydrous
• Particle Size: -10 mesh
• Impurities: <2% water
• Linear Formula: CaBr2

DETAILS

Sigma Aldrich - 413631

Packaging
1, 5 g in ampule