dichlorocalcium hexahydrate

• ChemBase ID: 147984
• Molecular Formular: CaCl2H12O6
• Molecular Mass: 219.07568
• Monoisotopic Mass: 217.96368444
• SMILES: O.O.O.O.O.O.Cl[Ca]Cl
• Canonical SMILES: Cl[Ca]Cl.O.O.O.O.O.O
• 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: dichlorocalcium hexahydrate
• IUPAC Traditional name: dichlorocalcium hexahydrate
• Synonyms: Calcium chloride hexahydrate; Calcii chloridum hexahydricum; 氯化钙 六水合物; 六水氯化钙

Database IDs

• CAS Number: 7774-34-7
• MDL Number: MFCD00149616
• PubChem SID: 24852651; 24868038; 162242164; 24852652; 24847428
• PubChem CID: 24486

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.769
• LogD (pH = 7.4): 0.769
• Log P: 0.769
• Molar Refractivity: 12.2726 cm^3
• Polarizability: 7.342525 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless
• Apperance: solid
• Melting Point: 30 °C
• Density: 1.71 g/mL at 25 °C(lit.)
• Absorption Wavelength: λ: 260 nm Amax: 0.018; λ: 280 nm Amax: 0.015
• Transition Temperature: solidification point 28-30 °C
• pH: 5.0-7.0 (25 °C, 1 M in H2O)

Safety Information

• RTECS: EV9830000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36
• Safety Statements: 22-24
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99% (calc. based on dry substance, KT); ≥99.0% (calc. based on dry substance, KT); 97-103%; 98%
• Grade: Ph Eur; purum p.a.
• Impurities: ≤0.0001% Al; ≤0.001% heavy metals (as Pb); ≤0.3% subst. not precip. by ammonium oxalate (as SO4); Insoluble matter, passes filter test
• Cation Traces: Al: ≤1 mg/kg; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Hg: ≤1 mg/kg; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤50 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤1000 mg/kg; Na: ≤500 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: sulfate (SO42-): ≤100 mg/kg
• Quality: meets analytical specification of Ph. Eur., E509
• λ: 1 M in H2O
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Product Line: BioUltra
• Empirical Formula (Hill Notation): CaCl2 · 6H2O

DETAILS

Sigma Aldrich - 21108

Caution
may also be liquid at temperatures >28°C

Sigma Aldrich - 442909

Packaging
1, 2.5 kg in poly bottle

Sigma Aldrich - 21110

Caution
may also be liquid at temperatures >28°C