(acetyloxy)cadmio acetate hydrate

• ChemBase ID: 147129
• Molecular Formular: C4H8CdO5
• Molecular Mass: 248.51432
• Monoisotopic Mass: 249.94053136
• SMILES: CC(=O)O[Cd]OC(=O)C.O
• Canonical SMILES: CC(=O)O[Cd]OC(=O)C.O
• InChI: InChI=1S/2C2H4O2.Cd.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
• InChIKey: KJNYWDYNPPTGLP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)cadmio acetate hydrate
• IUPAC Traditional name: cadmium acetate hydrate
• Synonyms: Cadmium acetate hydrate; 乙酸镉 水合物

Database IDs

• CAS Number: 89759-80-8
• EC Number: 208-853-2
• MDL Number: MFCD00150021
• PubChem SID: 162241320; 24853281
• PubChem CID: 71311261

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.679
• LogD (pH = 7.4): -0.679
• Log P: -0.679
• Molar Refractivity: 23.4322 cm^3
• Polarizability: 14.866332 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 2.01 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥99.99% trace metals basis
• Compostion: Degree of hydration, 1-2
• Linear Formula: (CH3CO2)2Cd · xH2O

DETAILS

Sigma Aldrich - 229490

Packaging
5, 25, 125 g in poly bottle