dichloroiron

• ChemBase ID: 108569
• Molecular Formular: Cl2Fe
• Molecular Mass: 126.751
• Monoisotopic Mass: 125.87264286
• SMILES: Cl[Fe]Cl
• Canonical SMILES: Cl[Fe]Cl
• InChI: InChI=1S/2ClH.Fe/h2*1H;/q;;+2/p-2
• InChIKey: NMCUIPGRVMDVDB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloroiron
• IUPAC Traditional name: ferrous chloride
• Synonyms: Ferrous chloride hydrate; Iron(II) chloride hydrate; Iron dichloride; Iron(II) chloride; FERROUS CHLORIDE; Ferrous chloride; Rokühnite; Iron(II) chloride; 氯化亚铁 水合物; 氯化铁(II) 水合物; 氯化亚铁; 氯化铁(II)

Database IDs

• CAS Number: 7758-94-3; 7758-94-3(anhydrous)
• EC Number: 231-843-4; 231-096-4
• MDL Number: MFCD00011004
• PubChem SID: 24868592; 24866852; 162088909; 24868593; 24863176
• PubChem CID: 24458
• CHEBI ID: 30812
• ATC CODE: B03AA05
• Chemspider ID: 22866
• Unique Ingredient Identifier: S3Y25PHP1W
• Wikipedia Title: Iron(II)_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.669
• LogD (pH = 7.4): 1.669
• Log P: 1.669
• Molar Refractivity: 12.2726 cm^3
• Polarizability: 7.850927 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 64.4 g/100 mL (10 °C),; 68.5 g/100mL (20 °C),; 105.7 g/100 mL (100 °C) in water; soluble in THF
• Apperance: beads; tan solid (anhydrous); pale green solid (di-tetrahydrate)
• Melting Point: 677 °C(lit.); 677 °C (anhydrous) ; 120 °C (dihydrate) ; 105 °C (tetrahydrate)
• Boiling Point: 1023 °C (anhydrous)
• Density: 3.16 g/cm^3 (anhydrous) ; 2.30 g/cm^3 (dihydrate) ; 1.39 g/cm^3 (tetrahydrate); 3.16 g/mL at 25 °C(lit.)

Safety Information

• RTECS: NO5400000
• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• UN Number: 3260
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34; R:22-34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  0
• GHS Hazard statements: H302-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 3

Product Information

• Purity: ≥76% FeCl2 basis; ≥99%; 98%; 99.9% trace metals basis; 99.99%; 99.998% trace metals basis
• Grade: anhydrous; purum; technical
• Particle Size: -10 mesh
• Cation Traces: As: ≤10 mg/kg; Cu: ≤100 mg/kg; Fe3+: ≤3000 mg/kg; Mn: ≤700 mg/kg; Pb: ≤50 mg/kg
• Linear Formula: FeCl2; FeCl2 · aq

DETAILS

MP Biomedicals - 05207900

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 450944

Packaging
10, 50 g in ampule
Application
Used in the synthesis of a novel cis-Fe(BPE5)2Cl2 (BPE5=1,2-diphospholanoethane) complex, which has potential application in many types of reactions such as intra- or intermolecular activation.1

Sigma Aldrich - 372870

Packaging
25, 250 g in glass bottle

Sigma Aldrich - 450936

Packaging
5, 25 g in ampule
Application
Used in the synthesis of a novel cis-Fe(BPE5)2Cl2 (BPE5=1,2-diphospholanoethane) complex, which has potential application in many types of reactions such as intra- or intermolecular activation. Field, L.D. et al.1

Sigma Aldrich - 429368

Packaging
1, 10 g in ampule
Application
Used in the synthesis of a novel cis-Fe(BPE5)2Cl2 (BPE5=1,2-diphospholanoethane) complex, which has potential application in many types of reactions such as intra- or intermolecular activation.1