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3264-82-2 molecular structure
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4-({[(4-oxopent-2-en-2-yl)oxy]nickelio}oxy)pent-3-en-2-one

ChemBase ID: 137729
Molecular Formular: C10H14NiO4
Molecular Mass: 256.90916
Monoisotopic Mass: 256.02455183
SMILES and InChIs

SMILES:
C/C(=C\C(=O)C)/O[Ni]O/C(=C/C(=O)C)/C
Canonical SMILES:
C/C(=C\C(=O)C)/O[Ni]O/C(=C/C(=O)C)/C
InChI:
InChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2
InChIKey:
BMGNSKKZFQMGDH-UHFFFAOYSA-L

Cite this record

CBID:137729 http://www.chembase.cn/molecule-137729.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({[(4-oxopent-2-en-2-yl)oxy]nickelio}oxy)pent-3-en-2-one
IUPAC Traditional name
4-({[(4-oxopent-2-en-2-yl)oxy]nickelio}oxy)pent-3-en-2-one
Synonyms
Ni(acac)2
2,4-Pentanedione nickel(II) derivative
Nickel(II) acetylacetonate
2,4-戊二酮 镍(II) 衍生物
乙酰丙酮镍(II)
CAS Number
3264-82-2
EC Number
221-875-7
MDL Number
MFCD00000024
Beilstein Number
4157970
PubChem SID
162231990
24857123
24859796
PubChem CID
44630395

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44630395 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.13614  H Acceptors
H Donor LogD (pH = 5.5) -0.0454 
LogD (pH = 7.4) -0.0454  Log P -0.0454 
Molar Refractivity 54.8498 cm3 Polarizability 23.47894 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
solid expand Show data source
Melting Point
230 °C (dec.)(lit.) expand Show data source
RTECS
SA2100000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
49-22-43 expand Show data source
Safety Statements
53-36/37/39-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H334-H350 expand Show data source
GHS Precautionary statements
P201-P261-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Purity
90% expand Show data source
95% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
Ni(C5H7O2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 283657 external link
Packaging
5, 25, 50 g in glass bottle
Sigma Aldrich - 329509 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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