difluoroiron tetrahydrate

• ChemBase ID: 138615
• Molecular Formular: F2FeH8O4
• Molecular Mass: 165.9029264
• Monoisotopic Mass: 165.97400268
• SMILES: O.O.O.O.F[Fe]F
• Canonical SMILES: F[Fe]F.O.O.O.O
• InChI: InChI=1S/2FH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
• InChIKey: NVUQQQYUHMEQEX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: difluoroiron tetrahydrate
• IUPAC Traditional name: difluoroiron tetrahydrate
• Synonyms: Iron(II) fluoride tetrahydrate; 氟化亚铁 四水合物

Database IDs

• CAS Number: 13940-89-1
• EC Number: 232-155-7
• MDL Number: MFCD00192233
• PubChem SID: 162232868; 24864855
• PubChem CID: 71310160

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.085
• LogD (pH = 7.4): 1.085
• Log P: 1.085
• Molar Refractivity: 3.0026 cm^3
• Polarizability: 4.0692983 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 22-26-27-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312 + H332-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 2

Product Information

• Purity: ≥99.9% (99.99+% excluding silicon)
• Linear Formula: FeF2 · 4H2O