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14459-95-1 molecular structure
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tetrapotassium hexacyanoirontetrauide trihydrate

ChemBase ID: 130854
Molecular Formular: C6H6FeK4N6O3
Molecular Mass: 422.38844
Monoisotopic Mass: 421.8399023
SMILES and InChIs

SMILES:
C(#N)[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
Canonical SMILES:
N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
InChI:
InChI=1S/6CN.Fe.4K.3H2O/c6*1-2;;;;;;;;/h;;;;;;;;;;;3*1H2/q;;;;;;-4;4*+1;;;
InChIKey:
NRYOVBQTVIWDNU-UHFFFAOYSA-N

Cite this record

CBID:130854 http://www.chembase.cn/molecule-130854.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrapotassium hexacyanoirontetrauide trihydrate
IUPAC Traditional name
tetrapotassium ferrocyanide trihydrate
Synonyms
Potassium ferrocyanide
Yellow prussiate
Potassium hexacyanoferrate(II) trihydrate
亚铁氰化钾
黄血盐
六氰基高铁(II)酸钾 三水合物
CAS Number
14459-95-1
EC Number
237-722-2
MDL Number
MFCD00167023
PubChem SID
24897881
24899032
24858899
24881827
162225132
24869100
PubChem CID
16211991

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2594  LogD (pH = 7.4) -0.2594 
Log P -0.2594  Molar Refractivity 39.9336 cm3
Polarizability 15.723072 Å3 Polar Surface Area 142.74 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.5 M at 20 °C, clear, faintly yellow to greenish-yellow expand Show data source
Apperance
crystalline expand Show data source
fine crystals expand Show data source
Melting Point
70 °C(lit.) expand Show data source
pH
8.0-10.0 (25 °C, 0.5 M in H2O) 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
2 expand Show data source
Risk Statements
32-52/53 expand Show data source
Safety Statements
22-24/25-47-61 expand Show data source
GHS Hazard statements
H412 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
Gloves expand Show data source
Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Supplemental Hazard Statements
Contact with acids liberates very toxic gas. expand Show data source
Purity
≥99% expand Show data source
≥99.0% (RT) expand Show data source
≥99.5% (RT) expand Show data source
≥99.99% trace metals basis expand Show data source
98.5-102.0% expand Show data source
99% expand Show data source
99.0-101.0% expand Show data source
99.5-101.0% expand Show data source
Grade
ACS reagent expand Show data source
ACS reagent, reag. ISO, reag. Ph. Eur. expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
purum p.a. expand Show data source
SAJ first grade expand Show data source
SAJ special grade expand Show data source
Impurities
≤0.0015% free alkali (as carbonate) expand Show data source
≤0.005% Insoluble matter expand Show data source
≤0.005% insolubles expand Show data source
≤0.02% water insoluble matter expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
As: ≤0.1 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤10 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cr: ≤50 mg/kg expand Show data source
Cu: ≤10 mg/kg expand Show data source
Cu: ≤20 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤100 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤10 mg/kg expand Show data source
Pb: ≤20 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
carbonate (CO32-): ≤20 mg/kg expand Show data source
chloride (Cl-): ≤0.01% expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
chloride (Cl-): ≤500 mg/kg expand Show data source
chloride (Cl-): ≤5000 mg/kg expand Show data source
sulfate (SO42-): ≤1000 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤500 mg/kg expand Show data source
sulfate (SO42-): passes test expand Show data source
sulfate (SO42-): passes test (limit about 0.01%) expand Show data source
Product Line
BioUltra expand Show data source
abs.
absorption0.5M/411 nm, H2O cut-off expand Show data source
Linear Formula
K4Fe(CN)6 · 3H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 455989 external link
Packaging
25, 100 g in poly bottle
Application
Applied in formation of a xerogel via a cyanogel the gel has potential use in solid-state gas sensors.1
Sigma Aldrich - P3289 external link
包装
5, 100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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