tetraammonium hexacyanoirontetrauide hydrate

• ChemBase ID: 137272
• Molecular Formular: C6H18FeN10O
• Molecular Mass: 302.11852
• Monoisotopic Mass: 302.10144275
• SMILES: C(#N)[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.[NH4+].[NH4+].[NH4+].[NH4+].O
• Canonical SMILES: N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.[NH4+].[NH4+].[NH4+].[NH4+].O
• InChI: InChI=1S/6CN.Fe.4H3N.H2O/c6*1-2;;;;;;/h;;;;;;;4*1H3;1H2/q;;;;;;-4;;;;;/p+4
• InChIKey: BTSLZUVMRRHGEJ-UHFFFAOYSA-R

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraammonium hexacyanoirontetrauide hydrate
• IUPAC Traditional name: tetraammonium ferrocyanide hydrate
• Synonyms: Ammonium ferrocyanide; Ammonium hexacyanoferrate(II) hydrate; 亚铁氰化铵; 六氰高铁酸铵 水合物

Database IDs

• CAS Number: 14481-29-9
• EC Number: 238-476-9
• MDL Number: MFCD00149957
• PubChem SID: 162231536; 24846451
• PubChem CID: 71310041

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.2594
• LogD (pH = 7.4): -0.2594
• Log P: -0.2594
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 15.723072 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312 + H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥85% (RT)
• Grade: spot test reagent
• Loss on Drying: ≤15% loss on drying, 110 °C
• Quality: for the determination of Ca
• Linear Formula: (NH4)4[Fe(CN)6] · xH2O

DETAILS

Sigma Aldrich - 09810

Other Notes
Reagent for the detection of calcium by spot test1