calcium hexahydrate dichloride

• ChemBase ID: 302740
• Molecular Formular: CaCl2O6
• Molecular Mass: 206.9804
• Monoisotopic Mass: 205.86978406
• SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Ca+2]
• Canonical SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Ca+2]
• InChI: InChI=1S/Ca.2ClH.6H2O/h;2*1H;6*1H2/q+2;;;;;;;;/p-2
• InChIKey: QHFQAJHNDKBRBO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium hexahydrate dichloride
• IUPAC Traditional name: calcium hexahydrate dichloride
• Synonyms: Calcium chloride hydrate, Puratronic®; 水合氯化钙, Puratronic®

Database IDs

• CAS Number: 7774-34-7
• EC Number: 233-140-8
• MDL Number: MFCD00149616
• Merck Index: 141659

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline Aggregates
• Density: 1.71

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36
• Safety Statements: 22-24
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H319
• GHS Precautionary statements: P280-P264-P305+P351+P338-P337+P313

Product Information

• Purity: 99.9965% (metals basis)