dichlorocalcium hydrate

• ChemBase ID: 149011
• Molecular Formular: CaCl2H2O
• Molecular Mass: 128.99928
• Monoisotopic Mass: 127.91086102
• SMILES: O.Cl[Ca]Cl
• Canonical SMILES: Cl[Ca]Cl.O
• InChI: InChI=1S/Ca.2ClH.H2O/h;2*1H;1H2/q+2;;;/p-2
• InChIKey: YMIFCOGYMQTQBP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlorocalcium hydrate
• IUPAC Traditional name: dichlorocalcium hydrate
• Synonyms: Calcium chloride hydrate; 氯化钙 水合物

Database IDs

• CAS Number: 22691-02-7
• EC Number: 233-140-8
• MDL Number: MFCD00149612
• PubChem SID: 162243180; 24852133
• PubChem CID: 16211463

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

• Apperance: crystals; powder and chunks
• Density: 2.15 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.01 mmHg ( 20 °C)

Safety Information

• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: CaCl2 · xH2O

DETAILS

Sigma Aldrich - 202940

Packaging
10, 50 g in glass bottle