Home > Compound List > Compound details
15321-51-4 molecular structure
click picture or here to close

nonakis(methanidylidyneoxidanium) diiron

ChemBase ID: 127049
Molecular Formular: C9Fe2O9
Molecular Mass: 363.7809
Monoisotopic Mass: 363.82410658
SMILES and InChIs

SMILES:
[Fe].[Fe].[C-]#[O+].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-]
Canonical SMILES:
[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe].[Fe]
InChI:
InChI=1S/9CO.2Fe/c9*1-2;;
InChIKey:
JCXLZXJCZPKTBW-UHFFFAOYSA-N

Cite this record

CBID:127049 http://www.chembase.cn/molecule-127049.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonakis(methanidylidyneoxidanium) diiron
IUPAC Traditional name
nonakis(carbon monoxide) diiron
Synonyms
Iron enneacarbonyl
Diiron nonacarbonyl
Diiron nonacarbonyl
Iron nonacarbonyl
Nonacarbonyldiiron
九羰基合二铁
CAS Number
15321-51-4
EC Number
239-359-5
MDL Number
MFCD00151465
PubChem SID
162221372
PubChem CID
6096993
Chemspider ID
4807522
Wikipedia Title
Diiron_nonacarbonyl

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
13062 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.189176  H Acceptors
H Donor LogD (pH = 5.5) -3.9616656 
LogD (pH = 7.4) -3.9616656  Log P -3.9616656 
Molar Refractivity 26.2298 cm3 Polarizability 2.2798557 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
insoluble in water expand Show data source
Apperance
Crystalline expand Show data source
orange crystals expand Show data source
Melting Point
ca 100°C dec. expand Show data source
decomposes at 100 °C expand Show data source
Boiling Point
decomposes expand Show data source
Density
2.08 g/cm3 expand Show data source
2.85 expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
UN3179 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-23/25 expand Show data source
Safety Statements
16-36-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
Main Hazard
Toxic expand Show data source
GHS Hazard statements
H228-H301-H330 expand Show data source
GHS Precautionary statements
P210-P280F-P304+P340-P310 expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle