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66923-66-8 molecular structure
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(acetyloxy)cuprio acetate hydrate

ChemBase ID: 103140
Molecular Formular: C4H8CuO5
Molecular Mass: 199.64932
Monoisotopic Mass: 198.96677086
SMILES and InChIs

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

Cite this record

CBID:103140 http://www.chembase.cn/molecule-103140.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(acetyloxy)cuprio acetate hydrate
IUPAC Traditional name
cupric acetate hydrate
Synonyms
Copper (II) Acetate Monohydrate
CUPRIC ACETATE MONOHYDRATE
CUPRIC ACETATE, ACS
Copper(II) acetate monohydrate
Copper(II) acetate hydrate
Cupric acetate monohydrate
醋酸铜 一水合物
乙酸铜 一水合物
乙酸铜 水合物
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
24853290
24882059
24853016
24892817
PubChem CID
10998019

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8634  LogD (pH = 7.4) -0.8634 
Log P -0.8634  Molar Refractivity 23.4322 cm3
Polarizability 13.281682 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
1083 °C expand Show data source
260 °C expand Show data source
Boiling Point
2567 °C at 1013 hPa expand Show data source
Density
1.882 expand Show data source
8.89 g/cm3 at 20 °C expand Show data source
Vapor Pressure
0 hPa at 1400 °C expand Show data source
Vapor Density
6.8 (vs air) expand Show data source
6.9 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
AG3500000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
22-36/37/38-50/53 expand Show data source
R:22-36/37/38-58 expand Show data source
Safety Statements
26-60-61 expand Show data source
36/37/39-60-61 expand Show data source
S:25-26-29-36/37/39-61 expand Show data source
EU Classification
M7 expand Show data source
EU Hazard Identification Number
13 expand Show data source
Emergency Response Guidebook(ERG) Number
171 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335-H400 expand Show data source
GHS Precautionary statements
P261-P273-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
≥99% expand Show data source
≥98% expand Show data source
≥98.0% expand Show data source
≥99.0% expand Show data source
≥99.0% (RT) expand Show data source
98% expand Show data source
98.0-102.0% (ACS specification) expand Show data source
98-102% expand Show data source
99.99% trace metals basis expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
REAGENT expand Show data source
SAJ first grade expand Show data source
SAJ special grade expand Show data source
Compostion
Degree of hydration, ~1 expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
≤0.01% insolubles expand Show data source
≤0.01% total nitrogen (N) expand Show data source
Cation Traces
Ca: ≤0.005% expand Show data source
Ca: ≤20 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Fe: ≤0.002% expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤0.01% expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤0.05% expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤0.01% expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤20 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.003% expand Show data source
chloride (Cl-): ≤10 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤0.01% expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
Linear Formula
Cu(CO2CH3)2 · H2O expand Show data source
Cu(CO2CH3)2 · xH2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150734 external link
Monohydrate
Crystalline
Purity: >99%
MP Biomedicals - 02152513 external link
ACS Reagent Grade
Purity: 98-102%
Sigma Aldrich - 341746 external link
Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle
Sigma Aldrich - 217557 external link
Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle
Sigma Aldrich - 229601 external link
Packaging
10, 50 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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