(acetyloxy)cuprio acetate

• ChemBase ID: 149493
• Molecular Formular: C4H6CuO4
• Molecular Mass: 181.63404
• Monoisotopic Mass: 180.95620617
• SMILES: CC(=O)O[Cu]OC(=O)C
• Canonical SMILES: CC(=O)O[Cu]OC(=O)C
• InChI: InChI=1S/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: OPQARKPSCNTWTJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)cuprio acetate
• IUPAC Traditional name: cupric acetate
• Synonyms: Cupric acetate; Copper(II) acetate; 醋酸铜; 乙酸铜

Database IDs

• CAS Number: 142-71-2
• EC Number: 205-553-3
• MDL Number: MFCD00008690
• Beilstein Number: 3595638
• PubChem SID: 162243658; 24882058; 24873953; 24859620
• PubChem CID: 517041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8634
• LogD (pH = 7.4): -0.8634
• Log P: -0.8634
• Molar Refractivity: 23.4322 cm^3
• Polarizability: 13.281682 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Vapor Density: 6.9 (vs air)

Safety Information

• RTECS: AG3480000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-50/53
• Safety Statements: 26-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (RT); 98%; 99.999% trace metals basis
• Grade: purum
• Quality: anhydrous
• Linear Formula: Cu(CO2CH3)2

DETAILS

Sigma Aldrich - 517453

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 326755

Packaging
25, 100 g in glass bottle