An official website of the United States government

Potassium ferrocyanide trihydrate

PubChem CID
161067
Structure
Potassium ferrocyanide trihydrate_small.png
Molecular Formula
Synonyms
  • Potassium ferrocyanide trihyrate
  • POTASSIUM FERROCYANIDE TRIHYDRATE
  • Yellow prussiate
  • KALI FERROCYANATUM
  • tetrapotassium;iron(2+);hexacyanide;trihydrate
Molecular Weight
422.39 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
  • Create:
    2005-08-08
  • Modify:
    2025-01-11
See also: Potassium Cation (has active moiety).

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Potassium ferrocyanide trihydrate.png

1.2 3D Status

Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrapotassium;iron(2+);hexacyanide;trihydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

2.1.2 InChI

InChI=1S/6CN.Fe.4K.3H2O/c6*1-2;;;;;;;;/h;;;;;;;;;;;3*1H2/q6*-1;+2;4*+1;;;
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.3 InChIKey

UTYXJYFJPBYDKY-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)

2.1.4 SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.[K+].[K+].[K+].[K+].[Fe+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C6H6FeK4N6O3
Computed by PubChem 2.2 (PubChem release 2021.10.14)

2.3 Other Identifiers

2.3.1 CAS

14459-95-1

2.3.2 UNII

2.3.3 Wikidata

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
422.39 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
15
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
421.839900 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
421.839900 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
146 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
14
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)

3.2 Experimental Properties

3.2.1 Physical Description

Slightly efflorescent solid; [Merck Index] Pale yellow odorless crystals; [Alfa Aesar MSDS]

3.3 Chemical Classes

Metals -> Metals, Inorganic Compounds

5 Chemical Vendors

6 Drug and Medication Information

6.1 FDA National Drug Code Directory

6.2 Drug Labels

Homeopathic product and label

7 Pharmacology and Biochemistry

7.1 FDA Pharmacological Classification

Non-Proprietary Name
KALI FERROCYANATUM
Pharmacological Classes
Osmotic Activity [MoA]; Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]; Increased Large Intestinal Motility [PE]; Potassium Salt [EPC]; Osmotic Laxative [EPC]; Potassium Compounds [CS]

8 Use and Manufacturing

8.1 Uses

Sources/Uses
Used as an oxidizer; [Merck Index] Used in drying colors, tempering steel, dyeing, making explosives, process engraving, and lithography; [Hawley]
Merck Index - O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ (eds). The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th Ed. Cambridge, UK: The Royal Society of Chemistry, 2013.
Hawley - Lewis RJ. _Hawley's Condensed Chemical Dictionary, _15th Ed. New York: John Wiley & Sons, 2007.
Industrial Processes with risk of exposure

Steel Producing [Category: Industry]

Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

9 Safety and Hazards

9.1 Hazards Identification

9.1.1 Hazards Summary

May cause irritation; [Alfa Aesar MSDS] See Potassium ferrocyanide.

10 Literature

10.1 Consolidated References

10.2 Chemical Co-Occurrences in Literature

11 Patents

11.1 Depositor-Supplied Patent Identifiers

11.2 Chemical Co-Occurrences in Patents

11.3 Chemical-Disease Co-Occurrences in Patents

11.4 Chemical-Gene Co-Occurrences in Patents

12 Classification

12.1 ChemIDplus

12.2 MolGenie Organic Chemistry Ontology

13 Information Sources

  1. ChemIDplus
    ChemIDplus Chemical Information Classification
    https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
  2. FDA Global Substance Registration System (GSRS)
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  3. DailyMed
  4. Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
    LICENSE
    Copyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.
    https://haz-map.com/About
    Potassium ferrocyanide trihydrate
    https://haz-map.com/Agents/21566
  5. National Drug Code (NDC) Directory
    LICENSE
    Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
    https://www.fda.gov/about-fda/about-website/website-policies#linking
  6. Wikidata
    potassium ferrocyanide trihydrate
    https://www.wikidata.org/wiki/Q47520593
  7. PubChem
  8. MolGenie
    MolGenie Organic Chemistry Ontology
    https://github.com/MolGenie/ontology/
  9. NCBI
CONTENTS