Sodium cyanate - ≥97% , CAS No.917-61-3

CAS: 917-61-3 Cat. No.: S107362 Formula: NaOCN Peso molecolare: 65.01 Beilstein Registry Number: 3655041 Numero EC: 213-030-6 PubChem CID: 517096

GRADE & PURITY ≥97%

Synonyms

Sodium isocyanate | MFCD00011121 | CCRIS 3589 | EC 213-030-6 | Sodium cyanate | SODIUM CYANATE [MI] | San-cyan | DTXSID2061274 | Cyanic acid, sodium salt (1:1) | ZVCDLGYNFYZZOK-UHFFFAOYSA-M | Q412708 | Natriumzyanat | NSC-272331 | sodium;cyanate | CNNaO |

Storage

Room temperature

Shipped In

Normal

Panoramica

Application

Sodium cyanate is an ideal nucleophile, and these nucleophilic properties make it a major contributor to the stereospecificity in certain reactions such as in the production of chiral oxazolidone. Sodium cyanate is a useful reagent in producing asymmetrical urea that have a range of biological activity mostly in aryl isocyanate intermediates. Such intermediates as well as sodium cyanate have been used in medicine as a means of counterbalancing carcinogenic effects on the body.

Specifications

Sinonimi

Sodium isocyanate | MFCD00011121 | CCRIS 3589 | EC 213-030-6 | Sodium cyanate | SODIUM CYANATE [MI] | San-cyan | DTXSID2061274 | Cyanic acid, sodium salt (1:1) | ZVCDLGYNFYZZOK-UHFFFAOYSA-M | Q412708 | Natriumzyanat | NSC-272331 | sodium;cyanate | CNNaO |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504758992

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758992

Sorrisi canonici

C(#N)[O-].[Na+]

IUPAC Name

sodium;cyanate

InChIKey

ZVCDLGYNFYZZOK-UHFFFAOYSA-M

INCHI

1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1

Isomeri SMILES

C(#N)[O-].[Na+]

WGK Germania

1

RTECS

GS7000000

PubChem CID

517096

Peso molecolare

65.01

Beilstein

3655041

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organic oxoanionic compounds
• Subclass: Cyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal cyanates
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic sodium 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 sodium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descrizione: 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

Obiettivi associati (umani)

CA1 Tclin Carbonic anhydrase 1 (5 Activities)

Discover Target: CA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Obiettivi associati (non umani)

Carbonic anhydrase (69 Activities)

Explore this target

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

Trypanosoma cruzi (99888 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Easy to dissolve in water, slightly soluble in liquid chlorine and organic solvents such as benzene, ethanol, ether, etc
• Sensibilità: moisture sensitive
• Punto di fusione (°C): 550℃
• Peso molecolare: 65.007 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 64.9878 Da
• Monoisotopic Mass: 64.9878 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 917-61-3, the molecular formula is NaOCN, and the molecular weight is 65.01 g/mol. InChIKey ZVCDLGYNFYZZOK-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.