Basic information
- CAS
917-61-3- Standard SMILES
N#C[O-].[Na+]- InChIKey
ZVCDLGYNFYZZOK-UHFFFAOYSA-M- Molecular formula
- CNNaO
- Average molar mass
- 65.007 g/mol
- Monoisotopic mass
- 64.9877579
Overview
Sodium cyanate is a cyanate salt and a one-carbon compound.
Names & identifiers
- Preferred name
- Sodium Cyanate
- IUPAC
- sodium cyanate
- English name
- Sodium cyanate
- Molecular formula
- CNNaO
- Molecular weight
- 66.01
Names & synonyms
Sodium cyanate917-61-3CYANIC ACID, SODIUM SALTSodium isocyanateCyansanWeecon8UFS3JRV8PDTXSID2061274CHEBI:38906NSC-272331RefChem:183845DTXCID3048736
Show more names
NaOCNStrawberry AcidCyanate sodiumSodium cyateNatriumcyanat
213-030-6SodiumcyanateZassolsodium;cyanateSan-cyanCNNaOCCRIS 3589UNII-8UFS3JRV8P
Database identifiers
- CAS
917-61-3- PubChem CID
- 517096
- DTXSID
DTXSID2061274- ChEMBL
CHEMBL1644696- ChEBI
CHEBI:38906- UNII
- 8UFS3JRV8P
- EC Number
- 213-030-6
- Nikkaji
- J2.118K
Properties
Computed structural properties
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 34.5
Experimental & physicochemical properties
Chemical ClassesMetals -> Metals, Inorganic Compounds
Physical Description
Large Crystals
Colorless solid; [Merck Index] Beige powder; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 550 °C · 550 °C
- Density
- 1 · 1,937 g/cm3
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Water (Slightly)
- form
- Crystalline Powder and/Chunks
- color
- White to light yellow or light beige
- Water Solubility
- 110 g/L · 110 g/L (20 ºC)
- Specific Heat Capacity
- 1.33 J/ · Cp(crystal): 1.33 J/(g·K), at 25℃
- Merck
- 14 · 14,8604
- BRN
- 3594963 · 3594963
- Stability
- Stable. Incompatible with acids, strong oxidizing agents.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Cyanic acid, sodium salt
Cyanic acid, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyanic acid, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 21-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/14588
Sodium cyanate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Effects on liver (decreased enzyme activity without histopathological changes), blood (increased hematocrit and reticulocytes), male reproductive organs (degeneration of germinal epithelium in the testes), and possible signs of neurotoxicity (reduced activity, impaired coordination, and clonic seizures) observed in 28-day gavage study of rats; Changes in blood interpreted as compensation to increase tissue oxygenation; Following recovery period of six weeks, hematological and neurological effects resolved; High-dose group lowered from 316 to 237 mg/kg/day due to mortality of three animals; [EPA] Causes convulsions in intramuscular LD50 study of rats; Causes degenerative changes to brain and flaccid paralysis without anesthesia in 60-day intramuscular intermittent study of monkeys (2,400 mg/kg); Causes meningeal changes in 60-day subcutaneous intermittent study of monkeys (1,500 mg/kg); Causes flaccid paralysis, somnolence, and other changes to the liver in 3-day oral intermittent study of guinea pigs; (300 mg/kg); Causes abnormal liver function tests in 26-week study of rats at >182 mg/kg; [RTECS] May cause irritation; Harmful by ingestion; [Aldrich MSDS] See Potassium cyanate and Silver cyanate.
Chemistry & industry
Uses & manufacturing
Uses
Used in experimental treatment of sickle cell anemia; [Merck Index] Used as an intermediate in organic synthesis; [EPA] Used in heat treatment of steel; [Hawley]
Heat Treating [Category: Heat or Machine]
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesReducing agent
General Manufacturing Information
Fabricated Metal Product Manufacturing
Cyanic acid, sodium salt (1:1): ACTIVE
Applications
DescriptionSodium cyanate belongs to the sodium salt of cyanic acid, which is commonly applied in the fields of chemical industry and medicine. Its industrial application is to serve as an intermediate in the production of dye-stuffs, bulk drug, heat treatment salts for metals, fungicides, herbicides, and photographic initiators. It is also an ideal nucleophile. The nucleophile properties of sodium cyanate makes it a major contributor to the stereospecificity in certain reactions such as in the production of chiral oxazolidone. Besides, it also acts as a reagent in the production of asymmetrical urea which have a range of biological activity mostly in aryl isocyanate intermediates. These intermediates and sodium cyanate have been applied in medicine, displaying counterbalancing carcinogenic effects on human body, which is probably effective with sickle cell anemia and helpful to block certain receptors for melanin which has been indicated to be helpful with obesity.
UsesSodium Cyanate is used in biological study as tumor cell proliferation and metabolism inhibition.
UsesOrganic synthesis, heat treating of steel, inter- mediate for manufacture of medicinals.
Upstream & downstream products
Upstream raw materials
Related reactions
315 records
Compound notes
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