(acetyloxy)cuprio acetate hydrate

• ChemBase ID: 103140
• Molecular Formular: C4H8CuO5
• Molecular Mass: 199.64932
• Monoisotopic Mass: 198.96677086
• SMILES: O.CC(=O)O[Cu]OC(=O)C
• Canonical SMILES: CC(=O)O[Cu]OC(=O)C.O
• InChI: InChI=1S/2C2H4O2.Cu.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
• InChIKey: NWFNSTOSIVLCJA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)cuprio acetate hydrate
• IUPAC Traditional name: cupric acetate hydrate
• Synonyms: Copper(II) acetate hydrate; Copper(II) acetate monohydrate; CUPRIC ACETATE, ACS; Copper (II) Acetate Monohydrate; CUPRIC ACETATE MONOHYDRATE; Cupric acetate monohydrate; 乙酸铜 水合物; 醋酸铜 一水合物; 乙酸铜 一水合物

Database IDs

• CAS Number: 66923-66-8; 6046-93-1
• EC Number: 231-159-6; 205-553-3
• MDL Number: MFCD00149570
• Beilstein Number: 3730548
• PubChem SID: 162090346; 24860988; 24892817; 24882059; 24853290; 24853016
• PubChem CID: 10998019

CALCULATED PROPERTIES

• 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
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Physical Property

• Melting Point: 1083 °C; 260 °C
• Boiling Point: 2567 °C at 1013 hPa
• Density: 1.882; 8.89 g/cm^3 at 20 °C
• Vapor Pressure: 0 hPa at 1400 °C
• Vapor Density: 6.8 (vs air); 6.9 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AG3500000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 22-36/37/38-50/53; R:22-36/37/38-58
• Safety Statements: 26-60-61; 36/37/39-60-61; S:25-26-29-36/37/39-61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171
• 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: ≥99%; ≥98%; ≥98.0%; ≥99.0%; ≥99.0% (RT); 98%; 98.0-102.0% (ACS specification); 98-102%; 99.99% trace metals basis
• Grade: ACS; ACS reagent; puriss. p.a.; purum p.a.; REAGENT; SAJ first grade; SAJ special grade
• Compostion: Degree of hydration, ~1
• Impurities: ≤0.01% insolubles; ≤0.01% total nitrogen (N)
• Cation Traces: Ca: ≤0.005%; Ca: ≤20 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Fe: ≤0.002%; Fe: ≤50 mg/kg; K: ≤0.01%; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤0.05%; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤0.01%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤20 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.003%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.01%; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: Cu(CO2CH3)2 · H2O; Cu(CO2CH3)2 · xH2O

DETAILS

MP Biomedicals - 02152513

ACS Reagent Grade
Purity: 98-102%

MP Biomedicals - 02150734

Monohydrate
Crystalline
Purity: >99%

Sigma Aldrich - 341746

Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle

Sigma Aldrich - 229601

Packaging
10, 50 g in poly bottle

Sigma Aldrich - 217557

Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle