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13755-38-9 molecular structure
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disodium pentacyano(nitroso)irondiuide dihydrate

ChemBase ID: 103525
Molecular Formular: C5H4FeN6Na2O3
Molecular Mass: 297.9482
Monoisotopic Mass: 297.94896408
SMILES and InChIs

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

Cite this record

CBID:103525 http://www.chembase.cn/molecule-103525.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.0712  LogD (pH = 7.4) 0.0712 
Log P 0.0712  Molar Refractivity 39.4351 cm3
Polarizability 15.23474 Å3 Polar Surface Area 148.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
1539 °C expand Show data source
Boiling Point
2735 °C at 1013 hPa expand Show data source
Auto Ignition Point
> 100 °C expand Show data source
Density
1.72 expand Show data source
7.87 g/cm3 at 25 °C expand Show data source
Vapor Pressure
ca. .000001 hPa at 25 °C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
LJ8750000 expand Show data source
LJ8925000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
3288 expand Show data source
UN1588 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
III expand Show data source
Australian Hazchem
2XE expand Show data source
Risk Statements
20/21-25 expand Show data source
25 expand Show data source
R:25 expand Show data source
Safety Statements
45 expand Show data source
9-28-36/37/39-45 expand Show data source
S:28-36/37/39-45-53 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
H301-H331-H312 expand Show data source
GHS Precautionary statements
P261-P301+P310-P302+P352-P321-P405-P501A expand Show data source
P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3288 6.1/PG 3 expand Show data source
Purity
≥98.0% (AT) expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
99.0-102.0% (ACS specification) expand Show data source
Grade
ACS reagent expand Show data source
ACS reagent, reag. Ph. Eur. expand Show data source
JIS special grade expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
Reag. Ph. Eur. expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤0.01% hexacyanoferrate(III) ([Fe(CN)6]3-) expand Show data source
≤0.01% insolubles expand Show data source
≤0.02% hexacyanoferrate(II) ([Fe(CN)6]4-) expand Show data source
Cation Traces
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤50 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
K: ≤3000 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.02% expand Show data source
chloride (Cl-): ≤100 mg/kg expand Show data source
hexacyanoferrate(II) ([Fe(CN)6]4-): ≤200 mg/kg expand Show data source
hexacyanoferrate(III) ([Fe(CN)6]3-): ≤100 mg/kg expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
sulfate (SO42-): passes test expand Show data source
sulfate (SO42-): passes test (lim. ~1%) expand Show data source
Linear Formula
Na2[Fe(CN)5NO] · 2H2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152061 external link
Dihydrate
Crystalline
Reagent used for chromatographic detection of peptides containing cystine. Also liberates nitric oxide in biological systems.
Sigma Aldrich - S0501 external link
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 external link
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 external link
Application
A component for quantitative ammonium determination.1,2
Packaging
100, 500 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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