ammonium disodium pentacyanoirontriuide amine hydrate

• ChemBase ID: 138719
• Molecular Formular: C5H9FeN7Na2O
• Molecular Mass: 284.9958
• Monoisotopic Mass: 285.00133401
• SMILES: C(#N)[Fe-3](C#N)(C#N)(C#N)C#N.[NH4+].N.O.[Na+].[Na+]
• Canonical SMILES: N#C[Fe-3](C#N)(C#N)(C#N)C#N.N.[NH4+].O.[Na+].[Na+]
• InChI: InChI=1S/5CN.Fe.2H3N.2Na.H2O/c5*1-2;;;;;;/h;;;;;;2*1H3;;;1H2/q;;;;;-3;;;2*+1;/p+1
• InChIKey: SBLWCHUVRYPGNY-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium disodium pentacyanoirontriuide amine hydrate
• IUPAC Traditional name: ammonium disodium pentacyanoirontriuide amine hydrate
• Synonyms: Ammonium disodium amminepentacyanoferrate(II) hydrate; 戊胺氰合亚铁(II)酸二钠铵 水合物

Database IDs

• CAS Number: 206658-96-0
• EC Number: 253-156-9
• MDL Number: MFCD00149960
• PubChem SID: 162232970; 24847192
• PubChem CID: 16211140

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.1495
• LogD (pH = 7.4): -0.1495
• Log P: -0.1495
• Molar Refractivity: 33.278 cm^3
• Polarizability: 13.638733 Å^3
• Polar Surface Area: 118.95 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: 36
• 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: 90%
• Linear Formula: Na2NH4[Fe(CN)5NH3]·xH2O

DETAILS

Sigma Aldrich - 114731

Other Notes
Contains sodium amminepentacyanoferrate(II) hydrate