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14634-91-4 molecular structure
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iron(2+) ion tris(1,10-phenanthroline) sulfate

ChemBase ID: 106052
Molecular Formular: C36H24FeN6O4S
Molecular Mass: 692.52356
Monoisotopic Mass: 692.09291178
SMILES and InChIs

SMILES:
[Fe+2].[O-]S(=O)(=O)[O-].c1cnc2c(c1)ccc1cccnc21.c1cnc2c(c1)ccc1cccnc21.c1cnc2c(c1)ccc1cccnc21
Canonical SMILES:
c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.[O-]S(=O)(=O)[O-].[Fe+2]
InChI:
InChI=1S/3C12H8N2.Fe.H2O4S/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-5(2,3)4/h3*1-8H;;(H2,1,2,3,4)/q;;;+2;/p-2
InChIKey:
CIWXFRVOSDNDJZ-UHFFFAOYSA-L

Cite this record

CBID:106052 http://www.chembase.cn/molecule-106052.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iron(2+) ion tris(1,10-phenanthroline) sulfate
λ2-iron(2+) ion tris(1,10-phenanthroline) sulfate
IUPAC Traditional name
iron ion(2+) tris(1,10-phenanthroline) sulfate
λ2-iron(2+) ion tris(phen) sulfate
Synonyms
1,10-Phenanthroline iron(II) sulfate, 0.025M aq. soln.
1,10-Phenanthroline iron(II) sulfate complex
o-Phenanthroline ferrous sulfate complex
Ferroin indicator solution
Ferroin
1,10-PHENANTHROLINE IRON(I) SULFATE COMPLEX
Ferroin
1,10-邻二氮杂菲 硫酸亚铁(II)盐, 0.025M水溶液
1,10-菲咯啉硫酸铁(II)络合物
邻菲咯啉硫酸亚铁络合物
菲绕啉指示剂 溶液
CAS Number
14634-91-4
EC Number
238-676-6
231-791-2
MDL Number
MFCD00036428
PubChem SID
24858877
24861308
24869996
162092900
PubChem CID
84567
Chemspider ID
76289
Wikipedia Title
Ferroin

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2141137  LogD (pH = 7.4) 2.287525 
Log P 2.2885551  Molar Refractivity 53.9006 cm3
Polarizability 23.776546 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
1539 °C expand Show data source
Boiling Point
2735 °C at 1013 hPa expand Show data source
Auto Ignition Point
> 100 °C expand Show data source
Density
0.999 g/mL at 25 °C expand Show data source
1.006 g/mL at 20 °C expand Show data source
7.87 g/cm3 at 25 °C expand Show data source
Vapor Pressure
ca. .000001 hPa at 25 °C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) 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
2 expand Show data source
Risk Statements
51/53 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
61 expand Show data source
S:20-25-26-37/39 expand Show data source
EU Hazard Identification Number
10 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS09 expand Show data source
GHS Hazard statements
H411 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Concentration
0.025 M expand Show data source
0.025M aq. soln. expand Show data source
0.1 wt. % in H2O expand Show data source
Grade
Reag. Ph. Eur. expand Show data source
redox indicator expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
passes test for change expand Show data source
Quality
E0 in sulfuric acid 1 mol/l = +1,06 volt expand Show data source
Linear Formula
[Fe(C12H8N2)3]SO4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02198689 external link
0.025 M Solution
d=1.01 g/ml
Sigma Aldrich - 318922 external link
Packaging
100, 500 mL in glass bottle
Sigma Aldrich - 34531 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - 46270 external link
General description
Visit our Titration Center to learn more.
Sigma Aldrich - 11-0130 external link
Suitability
for titration

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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