cadmium(2+) ion octahydrate sulfate

• ChemBase ID: 295150
• Molecular Formular: CdH16O12S
• Molecular Mass: 352.59584
• Monoisotopic Mass: 353.93960495
• SMILES: O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cd+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Cd+2]
• InChI: InChI=1S/Cd.H2O4S.8H2O/c;1-5(2,3)4;;;;;;;;/h;(H2,1,2,3,4);8*1H2/q+2;;;;;;;;;/p-2
• InChIKey: XPGCBFBTBOFJAE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmium(2+) ion octahydrate sulfate
• IUPAC Traditional name: cadmium(2+) ion octahydrate sulfate
• Synonyms: Cadmium sulfate hydrate; Cadmium sulfate hydrate, Puratronic®; Cadmium sulfate octahydrate, ACS; 硫酸镉水合物; 硫酸镉水合物, Puratronic®; 硫酸镉八水合物, ACS

Database IDs

• CAS Number: 7790-84-3; 15244-35-6
• EC Number: 233-331-6
• MDL Number: MFCD00151655
• Merck Index: 141627
• PubChem SID: 180680681
• PubChem CID: 3084221

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water. Almost insoluble in alcohol and ethyl acetate
• Apperance: Crystalline
• Melting Point: >40°C -H2O; 41.5°C trans pt
• Density: 3.08
• Refractive Index: 1.565

Safety Information

• RTECS: EV2850000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN2570
• Hazard Class: 6.1
• Packing Group: 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: H301-H330-H340-H350-H360-H372-H400-H410
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A

Product Information

• Purity: 98%; 98.0-102.0%; 99.996% (metals basis)