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3094-87-9 molecular structure
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(acetyloxy)ferrio acetate

ChemBase ID: 147166
Molecular Formular: C4H6FeO4
Molecular Mass: 173.93304
Monoisotopic Mass: 173.96154617
SMILES and InChIs

SMILES:
CC(=O)O[Fe]OC(=O)C
Canonical SMILES:
CC(=O)O[Fe]OC(=O)C
InChI:
InChI=1S/2C2H4O2.Fe/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey:
LNOZJRCUHSPCDZ-UHFFFAOYSA-L

Cite this record

CBID:147166 http://www.chembase.cn/molecule-147166.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(acetyloxy)ferrio acetate
IUPAC Traditional name
(acetyloxy)ferrio acetate
Synonyms
Iron(II) acetate
乙酸铁(II)
CAS Number
3094-87-9
EC Number
221-441-7
MDL Number
MFCD00058909
PubChem SID
24873988
24860620
162241357
PubChem CID
3816564

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3816564 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2866  LogD (pH = 7.4) 0.2866 
Log P 0.2866  Molar Refractivity 23.4322 cm3
Polarizability 13.035793 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
190-200 °C (dec.)(lit.) expand Show data source
RTECS
AI3850000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.99% trace metals basis expand Show data source
95% expand Show data source
Linear Formula
Fe(CO2CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 517933 external link
Packaging
5, 25 g in poly bottle
Sigma Aldrich - 339199 external link
Packaging
10, 50 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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