bis(dioxo-1,3-dioxa-2-ferracyclopentan-2-yl) oxalate hexahydrate

• ChemBase ID: 150312
• Molecular Formular: C6H12Fe2O18
• Molecular Mass: 483.83868
• Monoisotopic Mass: 483.87223854
• SMILES: C1(=O)C(=O)O[Fe](O1)OC(=O)C(=O)O[Fe]1OC(=O)C(=O)O1.O.O.O.O.O.O
• Canonical SMILES: O=C(C(=O)O[Fe]1OC(=O)C(=O)O1)O[Fe]1OC(=O)C(=O)O1.O.O.O.O.O.O
• InChI: InChI=1S/3C2H2O4.2Fe.6H2O/c3*3-1(4)2(5)6;;;;;;;;/h3*(H,3,4)(H,5,6);;;6*1H2/q;;;2*+3;;;;;;/p-6
• InChIKey: FWXIZVVTJVNNRX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dioxo-1,3-dioxa-2-ferracyclopentan-2-yl) oxalate hexahydrate
• IUPAC Traditional name: bis(dioxo-1,3-dioxa-2-ferracyclopentan-2-yl) oxalate hexahydrate
• Synonyms: Ferric oxalate hexahydrate; Iron(III) oxalate hexahydrate; 草酸铁(III) 六水合物

Database IDs

• CAS Number: 166897-40-1
• EC Number: 220-951-7
• MDL Number: MFCD00151243
• PubChem SID: 24863816; 162244473
• PubChem CID: 71311460

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.9442
• LogD (pH = 7.4): 4.9442
• Log P: 4.9442
• Molar Refractivity: 37.7502 cm^3
• Polarizability: 23.3787 Å^3
• Polar Surface Area: 157.8 Å^2

PROPERTIES

Physical Property

• Apperance: powder and chunks

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 21/22
• Safety Statements: 24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280

Product Information

• Linear Formula: Fe2(C2O4)3 · 6H2O

DETAILS

Sigma Aldrich - 381446

Packaging
5, 25 g in glass bottle