cadmiumdiol

• ChemBase ID: 137887
• Molecular Formular: CdH2O2
• Molecular Mass: 146.42568
• Monoisotopic Mass: 147.9088373
• SMILES: O[Cd]O
• Canonical SMILES: O[Cd]O
• InChI: InChI=1S/Cd.2H2O/h;2*1H2/q+2;;/p-2
• InChIKey: PLLZRTNVEXYBNA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: cadmiumdiol
• IUPAC Traditional name: cadmiumdiol
• Synonyms: Cadmium hydroxide; 氢氧化镉

Database IDs

• CAS Number: 21041-95-2
• EC Number: 244-168-5
• MDL Number: MFCD00015995
• PubChem SID: 162232148; 24865025
• PubChem CID: 62749

CALCULATED PROPERTIES

• Acid pKa: 16.31197
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.638
• LogD (pH = 7.4): -1.638
• Log P: -1.638
• Molar Refractivity: 5.1292 cm^3
• Polarizability: 7.3432035 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 232 °C(lit.)
• Density: 4.79 g/mL at 25 °C(lit.)

Safety Information

• RTECS: EV1260000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2570
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H410
• GHS Precautionary statements: P273-P280-P501
• RID/ADR: UN 2570 6.1/PG 3

Product Information

• Purity: 98%; 99.99% trace metals basis
• Linear Formula: Cd(OH)2

DETAILS

Sigma Aldrich - 401560

Packaging
1 g in glass bottle