iron(3+) ion disodium pentakis(iminomethanide) nitroso dihydrate

• ChemBase ID: 303875
• Molecular Formular: C5H4FeN6Na2O3
• Molecular Mass: 297.9482
• Monoisotopic Mass: 297.94896408
• SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N]=O.O.O.[Na+].[Na+].[Fe+3]
• Canonical SMILES: N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].O=[N].O.O.[Na+].[Na+].[Fe+3]
• InChI: InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+3;;2*+1
• InChIKey: VGNOSACETKZZCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion disodium pentakis(iminomethanide) nitroso dihydrate
• IUPAC Traditional name: iron(3+) ion disodium pentakis(cyanide) nitric oxide dihydrate
• Synonyms: Sodium nitroprusside; Sodium nitroferricyanide(III); Sodium pentacyanonitrosylferrate(III) dihydrate, ACS; 五氰基亚硝酰基铁(III)酸钠二水合物, ACS

Database IDs

• CAS Number: 13755-38-9
• EC Number: 238-373-9
• MDL Number: MFCD00149192
• Merck Index: 148649

CALCULATED PROPERTIES

• Acid pKa: 9.5
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• Molar Refractivity: 15.8149 cm^3
• Polarizability: 2.6105857 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Density: 1.72

Safety Information

• Storage Warning: Hygroscopic
• RTECS: LJ8925000
• European Hazard Symbols: Toxic (T)
• UN Number: UN1588
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21-25
• Safety Statements: 9-28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H331-H312
• GHS Precautionary statements: P261-P301+P310-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.0-102.0%