Potassium cyanate - ≥97% , CAS No.590-28-3

CAS: 590-28-3 Cat. No.: P111120 Molecular Weight: 81.12 Beilstein Registry Number: 3594798 EC Number: 209-676-3

GRADE & PURITY ≥97%

Synonyms

HSDB 1757 | POTASSIUM CYANATE | 4-(Bromomethyl)phenyl methyl sulfone | Isocyanic acid potassium salt | Bonide krab crabgrass killer | FT-0659644 | SCHEMBL435191 | Bulpur | Ded-weed crabgrass killer | potassium-cyanate | SY006099 | NSC 146178 | UNII-G9C31T

Storage

Room temperature

Shipped In

Normal

Overview

Potassium cyanate can be prepared by reacting urea with alkali hydroxide or carbonates at high temperatures.

Potassium cyanate may be used as one of the reaction components for the synthesis of the following:

• urea

• hydantion\]

• glycosylamine 1,2-(cyclic carbamates) {glycofurano(or pyrano)[1,2-d]oxazolidin-2-ones}

• arylcarbamates

• (S)-(-)-1-carbamoyl-2-methoxymethylpyrrolidine

Specifications

Synonyms

HSDB 1757 | POTASSIUM CYANATE | 4-(Bromomethyl)phenyl methyl sulfone | Isocyanic acid potassium salt | Bonide krab crabgrass killer | FT-0659644 | SCHEMBL435191 | Bulpur | Ded-weed crabgrass killer | potassium-cyanate | SY006099 | NSC 146178 | UNII-G9C31T

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504766353
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766353
• Canonical Smiles: C(#N)[O-].[K+]
• IUPAC Name: potassium;cyanate
• InChIKey: GKKCIDNWFBPDBW-UHFFFAOYSA-M
• INCHI: 1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1
• Isomeric SMILES: C(#N)[O-].[K+]
• WGK Germany: 1
• RTECS: GS6825000
• Molecular Weight: 81.12
• Beilstein: 3594798
• Reaxy-Rn: 1098379
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098379&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds
      • Subclass Cyanates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Cyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal cyanates
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Metal cyanate - Organic alkali metal salt - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as metal cyanates. These are compounds containing a metal atom and a cyanate. The metal cyanate group can be in neutral or ionic form (involving a cationic metal and the anionic cyanate).
• External Descriptors: one-carbon compound - cyanate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

COLO 205 (50209 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

COLO 320 (353 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water. Slightly soluble in alcohol
• Melt Point(°C): 700-900℃
• Molecular Weight: 81.115 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 80.9617 Da
• Monoisotopic Mass: 80.9617 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 34.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Jinsheng Lin, Feifei Chen, Chaohua Bao, Jian Ma, Dan Li, Lewei Zheng, Wenquan Zhu, Wenbin Chen, Xiaoming Liu.  (2021)  Investigation of an artificial solution degradant of linagliptin: An undesired linagliptin urea derivative generates in sample preparation of linagliptin tablet treated by sonication in acetonitrile containing diluent.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:34954487] [10.1016/j.jpba.2021.114540]

2. Kexin Zhang, Haiyan Li, Xingjian Xu, Hongwen Yu.  (2016)  Facile and Efficient Synthesis of Nitrogen-Functionalized Graphene Oxide as a Copper Adsorbent and Its Application.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5b04095]

3. Yang You, Anqiang Zhang, Yaling Lin.  (2016)  Crosslinking mechanism of supramolecular elastomers based on linear bifunctional polydimethylsiloxane oligomers.  JOURNAL OF APPLIED POLYMER SCIENCE,  133  (18):   [PMID:] [10.1002/app.43385]

4. Dongling Yang, Hongyuan Sha, Qinghe Li, Lilin Yang, Zujian Wang, Rongbing Su, Chao He, Bin Su, Xiaoming Yang, Xifa Long.  (2025)  Birefringence Modulation by Phenyl and Acyl Groups in Urea-Based Crystals.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.4c01398]

5. Nengxuan Wang, Xinyuan Zhang, Fei Liang, Zhanggui Hu, Yicheng Wu.  (2025)  An alkali and rare earth metal mixed cyanurate KLa2(C3N3O3)2Cl with large birefringence: Synthesis and characterization.  SOLID STATE COMMUNICATIONS,      [PMID:] [10.1016/j.ssc.2025.115871]