calcium dibromide

• ChemBase ID: 112033
• Molecular Formular: Br2Ca
• Molecular Mass: 199.886
• Monoisotopic Mass: 197.79926498
• SMILES: [Ca+2].[Br-].[Br-]
• Canonical SMILES: [Ca+2].[Br-].[Br-]
• InChI: InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2
• InChIKey: WGEFECGEFUFIQW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dibromide
• IUPAC Traditional name: calcium(2+) dibromide; calcium dibromide
• Synonyms: CALCIUM BROMIDE; Calcium bromide, ultra dry; Calcium bromide, anhydrous; Calcium dibromide; 溴化钙, 超干; 溴化钙, 无水

Database IDs

• CAS Number: 7789-41-5
• EC Number: 232-164-6
• MDL Number: MFCD00010902
• Merck Index: 141654
• PubChem SID: 162098205
• PubChem CID: 24608; 5360316
• CHEBI ID: 31338
• Chemspider ID: 23010
• Unique Ingredient Identifier: 87CNY2EEBH
• Wikipedia Title: Calcium_bromide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.57
• LogD (pH = 7.4): -0.57
• Log P: -0.57
• Molar Refractivity: 0.0 cm^3
• Polarizability: 2.7365203 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 3.09

PROPERTIES

Physical Property

• Solubility: 125 g/100 mL (0 °C) ; 143 g/100 ml (20°C) ; 312 g/100 mL (100 °C) in water; Freely soluble in water, methanol, ethanol. Soluble in acetone. Insoluble in dioxane, chloroform, ether; soluble in alcohol, acetone
• Apperance: -10 Mesh Beads, Ampouled under argon; -80 Mesh Powder; Odorless, very hygroscopic colorless crystals ; sharp saline taste
• Melting Point: 730 °C; 730°C; 730°C
• Boiling Point: 1935 °C (anhydrous) ; 810 °C (dihydrate); 806-812°C
• Density: 3.353; 3.353 g/cm^3
• pKa: 9

Safety Information

• Storage Warning: Hygroscopic
• RTECS: EV9328000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• Main Hazard: Decomposes on heating at high temperature producing toxic and corrosive fumes
• NFPA704:
  

  0

  1

  0
• LD50: 4100 mg/kg (rat, oral) ; 1580 mg/kg (mouse, subcutaneous)
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.5%; 99.978% (metals basis)

DETAILS

MP Biomedicals - 05222266

MP Biomedicals Rare Chemical collection