Potassium cyanate - analytical standard , CAS No.590-28-3

CAS: 590-28-3 Cat. No.: P111121 Molecular Weight: 81.12 Beilstein Registry Number: 3594798 EC Number: 209-676-3
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
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
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Size
Status
Price
Qty
250mg
P111121-250mg
2
$74.90
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

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
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC(#N)[O-].[K+]
IUPAC Namepotassium;cyanate
InChIKeyGKKCIDNWFBPDBW-UHFFFAOYSA-M
INCHI1S/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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganic oxoanionic compounds
SubclassCyanates
Intermediate Tree Nodes Not available
Direct ParentMetal cyanates
Alternative Parents Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic potassium salts  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 320 (353 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
J1611032Certificate of AnalysisNov 06, 2025 P111121
Chemical and Physical Properties
SolubilitySoluble in water, slightly soluble in ethanol.
Melt Point(°C)700-900℃
Molecular Weight81.115 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass80.9617 Da
Monoisotopic Mass80.9617 Da
Topological Polar Surface Area46.900 Ų
Heavy Atom Count4
Formal Charge0
Complexity34.500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Citations of This Product
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]
Solution Calculators
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