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13477-95-7 molecular structure
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nickel(2+) ion bis(iminomethanide) tetrahydrate

ChemBase ID: 303393
Molecular Formular: C2H8N2NiO4
Molecular Mass: 182.78932
Monoisotopic Mass: 181.98374965
SMILES and InChIs

SMILES:
[C-]#N.[C-]#N.O.O.O.O.[Ni+2]
Canonical SMILES:
N#[C-].N#[C-].O.O.O.O.[Ni+2]
InChI:
InChI=1S/2CN.Ni.4H2O/c2*1-2;;;;;/h;;;4*1H2/q2*-1;+2;;;;
InChIKey:
VHHVAACTKRUWEK-UHFFFAOYSA-N

Cite this record

CBID:303393 http://www.chembase.cn/molecule-303393.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nickel(2+) ion bis(iminomethanide) tetrahydrate
IUPAC Traditional name
nickel(2+) ion bis(cyanide) tetrahydrate
Synonyms
Nickel(II) cyanide tetrahydrate
氰化镍(II)四水合物
CAS Number
13477-95-7
EC Number
209-160-8
MDL Number
MFCD00049490
Merck Index
146506

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39480 external link Add to cart
Data Source Data ID Price
Alfa Aesar
39480 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.5  H Acceptors
H Donor LogD (pH = 5.5) -0.34610683 
LogD (pH = 7.4) -0.33904728  Log P -0.34619832 
Molar Refractivity 15.8149 cm3 Polarizability 2.6105857 Å3
Polar Surface Area 23.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
Insoluble in water. Soluble in ammonium carbonate, ammonia, alkali cyanides expand Show data source
Apperance
-100 Mesh Powder expand Show data source
Melting Point
200°C -4H{2}O expand Show data source
RTECS
QR6495000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
UN1653 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
49-32-42/43-48/23-50/53 expand Show data source
Safety Statements
53-45-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H334-H350-H372-H317-H400-H410 expand Show data source
GHS Precautionary statements
P260-P285-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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