disodium pentacyano(nitroso)irondiuide dihydrate

• ChemBase ID: 103525
• Molecular Formular: C5H4FeN6Na2O3
• Molecular Mass: 297.9482
• Monoisotopic Mass: 297.94896408
• SMILES: O.O.[Na+].[Na+].O=N[Fe-2](C#N)(C#N)(C#N)(C#N)C#N
• Canonical SMILES: O=N[Fe-2](C#N)(C#N)(C#N)(C#N)C#N.O.O.[Na+].[Na+]
• InChI: InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q;;;;;2*-1;2*+1
• InChIKey: OIRZWVYIQXBRFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium pentacyano(nitroso)irondiuide dihydrate
• IUPAC Traditional name: disodium nitroprusside dihydrate; dipotassium nitroferricyanide dihydrate
• Synonyms: Sodium nitroprusside; Sodium nitroferricyanide(III) dihydrate; Nitroprusside sodium; SNP; Sodium nitroferricyanide; Sodium pentacyanonitrosylferrate; SODIUM NITROPRUSSIDE; Sodium nitroprusside dihydrate; Sodium nitroprusside dihydrate; Sodium nitroferricyanide(III) dihydrate; Sodium pentacyanonitrosylferrate(III) dihydrate; 五氰基亚硝酰基铁酸钠; 硝基铁酸氰化钠; 硝普盐 钠; 硝普钠 二水合物; 亚硝基铁氰化钠; 硝普酸钠; 五氰基亚硝基铁(III)酸钠二水合物

Database IDs

• CAS Number: 13755-38-9
• EC Number: 238-373-9; 231-096-4
• MDL Number: MFCD00149192
• Merck Index: 148649
• PubChem SID: 24886303; 24853704; 24858959; 24867017; 162090400; 24848159
• PubChem CID: 11953895

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.0712
• LogD (pH = 7.4): 0.0712
• Log P: 0.0712
• Molar Refractivity: 39.4351 cm^3
• Polarizability: 15.23474 Å^3
• Polar Surface Area: 148.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 1539 °C
• Boiling Point: 2735 °C at 1013 hPa
• Auto Ignition Point: > 100 °C
• Density: 1.72; 7.87 g/cm^3 at 25 °C
• Vapor Pressure: ca. .000001 hPa at 25 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: LJ8750000; LJ8925000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; 3288; UN1588
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; II; III
• Australian Hazchem: 2XE
• Risk Statements: 20/21-25; 25; R:25
• Safety Statements: 45; 9-28-36/37/39-45; S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301; H301-H331-H312
• GHS Precautionary statements: P261-P301+P310-P302+P352-P321-P405-P501A; P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3288 6.1/PG 3

Product Information

• Purity: ≥98.0% (AT); ≥99%; ≥99.0%; 98%; 98+%; 99%; 99.0-102.0% (ACS specification)
• Grade: ACS reagent; ACS reagent, reag. Ph. Eur.; JIS special grade; puriss. p.a.; purum p.a.; Reag. Ph. Eur.
• Impurities: ≤0.01% hexacyanoferrate(III) ([Fe(CN)6]3-); ≤0.01% insolubles; ≤0.02% hexacyanoferrate(II) ([Fe(CN)6]4-)
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤50 mg/kg; Cu: ≤5 mg/kg; K: ≤3000 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.02%; chloride (Cl-): ≤100 mg/kg; hexacyanoferrate(II) ([Fe(CN)6]4-): ≤200 mg/kg; hexacyanoferrate(III) ([Fe(CN)6]3-): ≤100 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): passes test; sulfate (SO42-): passes test (lim. ~1%)
• Linear Formula: Na2[Fe(CN)5NO] · 2H2O

DETAILS

MP Biomedicals - 02152061

Dihydrate
Crystalline
Reagent used for chromatographic detection of peptides containing cystine. Also liberates nitric oxide in biological systems.

Sigma Aldrich - S0501

Biochem/physiol Actions
Releases NO in vivo, thus activating guanylyl cyclase, ADP-ribosyltransferase, and cyclooxygenase and inhibiting lipoxygenase. Induces vasodilation and inhibits platelet aggregation.

Sigma Aldrich - 431451

Application
Used in medicine hypertensive emergency.
Features and Benefits
Meets A.C.S. reagent specifications.
Packaging
10, 50 g in poly bottle

Sigma Aldrich - 228710

Application
A component for quantitative ammonium determination.1,2
Packaging
100, 500 g in poly bottle
5 g in glass bottle