calcium dichlorate

• ChemBase ID: 126333
• Molecular Formular: CaCl2O6
• Molecular Mass: 206.9804
• Monoisotopic Mass: 205.86978406
• SMILES: [Ca+2].[O-][Cl](=O)=O.[O-][Cl](=O)=O
• Canonical SMILES: [O-][Cl](=O)=O.[O-][Cl](=O)=O.[Ca+2]
• InChI: InChI=1S/Ca.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2
• InChIKey: YALMXYPQBUJUME-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium dichlorate
• IUPAC Traditional name: calcium dichlorate
• Synonyms: Calcium chlorate

Database IDs

• CAS Number: 10017-74-3
• EC Number: 233-378-2
• PubChem SID: 162220670
• PubChem CID: 24978
• Chemspider ID: 23349
• Wikipedia Title: Calcium_chlorate

CALCULATED PROPERTIES

• Acid pKa: -4.672161
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3354366
• LogD (pH = 7.4): -2.3354366
• Log P: 0.040962167
• Molar Refractivity: 10.465 cm^3
• Polarizability: 4.606249 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 209 g/100mL (20 °C) ; 197 g/100mL (25 °C) in water
• Apperance: white solid ; deliquescent
• Melting Point: 325 °C
• Density: 2.71 g/cm^3
• Odor: odorless

Safety Information

• RTECS: FN9800000
• NFPA704:
  

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