calcium tetrahydrate diperchlorate

• ChemBase ID: 149332
• Molecular Formular: CaCl2H8O12
• Molecular Mass: 311.04032
• Monoisotopic Mass: 309.90187204
• SMILES: O.O.O.O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Ca+2]
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.O.O.O.[Ca+2]
• InChI: InChI=1S/Ca.2ClHO4.4H2O/c;2*2-1(3,4)5;;;;/h;2*(H,2,3,4,5);4*1H2/q+2;;;;;;/p-2
• InChIKey: YGFQNBSXMKXDTH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium tetrahydrate diperchlorate
• IUPAC Traditional name: calcium tetrahydrate diperchlorate
• Synonyms: Calcium perchlorate tetrahydrate; 高氯酸钙 四水合物

Database IDs

• CAS Number: 15627-86-8
• EC Number: 236-768-0
• MDL Number: MFCD00191895
• PubChem SID: 162243499; 24865014
• PubChem CID: 71311407

CALCULATED PROPERTIES

• Acid pKa: -6.8919964
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4740524
• LogD (pH = 7.4): -2.4740524
• Log P: -0.097653694
• Molar Refractivity: 11.9079 cm^3
• Polarizability: 5.355259 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1455
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 9-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1455 5.1/PG 2

Product Information

• Purity: 99%
• Linear Formula: Ca(ClO4)2·4H2O

DETAILS

Sigma Aldrich - 401420

Packaging
100 g in glass bottle