(acetyloxy)ferrio acetate

• ChemBase ID: 147166
• Molecular Formular: C4H6FeO4
• Molecular Mass: 173.93304
• Monoisotopic Mass: 173.96154617
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)ferrio acetate
• IUPAC Traditional name: (acetyloxy)ferrio acetate
• Synonyms: Iron(II) acetate; 乙酸铁(II)

Database IDs

• CAS Number: 3094-87-9
• EC Number: 221-441-7
• MDL Number: MFCD00058909
• PubChem SID: 162241357; 24873988; 24860620
• PubChem CID: 3816564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2866
• LogD (pH = 7.4): 0.2866
• Log P: 0.2866
• Molar Refractivity: 23.4322 cm^3
• Polarizability: 13.035793 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 190-200 °C (dec.)(lit.)

Safety Information

• RTECS: AI3850000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.99% trace metals basis; 95%
• Linear Formula: Fe(CO2CH3)2

DETAILS

Sigma Aldrich - 517933

Packaging
5, 25 g in poly bottle

Sigma Aldrich - 339199

Packaging
10, 50 g in poly bottle