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6018-89-9 molecular structure
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(acetyloxy)nickelio acetate tetrahydrate

ChemBase ID: 145692
Molecular Formular: C4H14NiO8
Molecular Mass: 248.84256
Monoisotopic Mass: 248.00421031
SMILES and InChIs

SMILES:
CC(=O)O[Ni]OC(=O)C.O.O.O.O
Canonical SMILES:
CC(=O)O[Ni]OC(=O)C.O.O.O.O
InChI:
InChI=1S/2C2H4O2.Ni.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
InChIKey:
OINIXPNQKAZCRL-UHFFFAOYSA-L

Cite this record

CBID:145692 http://www.chembase.cn/molecule-145692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(acetyloxy)nickelio acetate tetrahydrate
IUPAC Traditional name
tetrahydrate nickel acetate
Synonyms
Acetic acid nickel(II) salt
Nickel(II) acetate tetrahydrate
乙酸 镍(II) 盐
乙酸镍(II) 四水合物
CAS Number
6018-89-9
EC Number
206-761-7
MDL Number
MFCD00066973
Beilstein Number
3730764
PubChem SID
24854649
162239895
24863697
24855057
24886370
PubChem CID
16211677

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211677 external link

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 13.199559 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)
Apperance
powder and chunks expand Show data source
Density
1.798 g/mL at 25 °C(lit.) expand Show data source
RTECS
QR6126000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) 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
German water hazard class
3 expand Show data source
Risk Statements
49-61-20/22-42/43-48/23-50/53-68 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H317-H332-H334-H341-H350i-H360-H372-H410 expand Show data source
GHS Precautionary statements
P201-P261-P273-P280-P308 + P313-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Purity
≥98% expand Show data source
≥99.0% (KT) expand Show data source
98% expand Show data source
99.998% trace metals basis expand Show data source
Grade
purum p.a. expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤1000 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤100 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤100 mg/kg expand Show data source
Na: ≤1000 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-): ≤100 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
Linear Formula
Ni(OCOCH3)2 · 4H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 379883 external link
Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1
Packaging
10, 50 g in poly bottle
Sigma Aldrich - 72225 external link
Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1
Sigma Aldrich - 244066 external link
Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1
Packaging
100, 500 g in poly bottle
Sigma Aldrich - 25042 external link
Application
Used in synthesis of polynuclear-nickel polyoxotungstate cluster compounds that are ideal for the design of molecular magnets.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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