cadmium(2+) ion hydrate dichloride

• ChemBase ID: 302738
• Molecular Formular: CdCl2O
• Molecular Mass: 199.3164
• Monoisotopic Mass: 199.83597798
• SMILES: O.[Cl-].[Cl-].[Cd+2]
• Canonical SMILES: O.[Cl-].[Cl-].[Cd+2]
• InChI: InChI=1S/Cd.2ClH.H2O/h;2*1H;1H2/q+2;;;/p-2
• InChIKey: OISMQLUZKQIKII-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion hydrate dichloride
• IUPAC Traditional name: cadmium(2+) ion hydrate dichloride
• Synonyms: Cadmium chloride hydrate, Puratronic®; Cadmium chloride hydrate; Cadmium chloride hemipentahydrate, ACS; 氯化镉水合物, Puratronic®; 氯化镉水合物; 2.5水合氯化镉, ACS

Database IDs

• CAS Number: 654054-66-7; 7790-78-5
• EC Number: 233-296-7
• MDL Number: MFCD00149627; MFCD00799071
• Merck Index: 141617

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; Crystalline Powder; Powder
• Refractive Index: 1.6513

Safety Information

• Storage Warning: Hygroscopic
• RTECS: EV0175000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN2570
• Hazard Class: 6.1
• Packing Group: II; III
• Risk Statements: 45-46-60-61-25-26-48/23/25-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H330-H340-H350-H360-H372-H400-H410; H301-H330-H340-H350-H360-H372-H400-H410
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A

Product Information

• Purity: 79.5-81.0%; 99.99% (metals basis); 99.998% (metals basis)