Selenocyanic acid, potassium salt (1:1)
Basic information
- CAS
3425-46-5- Standard SMILES
N#C[Se-].[K+]- InChIKey
KYEKHFSRAXRJBR-UHFFFAOYSA-M- Molecular formula
- CKNSe
- Average molar mass
- 144.09 g/mol
- Monoisotopic mass
- 144.8833
Names & identifiers
- Preferred name
- Selenocyanic acid, potassium salt (1:1)
- IUPAC
- potassium selenocyanate
- English name
- Potassium selenocyanate
- Molecular formula
- CHNSe.K
- Molecular weight
- 145.08
Names & synonyms
Potassium selenocyanateSelenocyanic acid, potassium saltPotassium selenoisocyanateCCRIS 7063EINECS 222-320-1Selenocyanic acid, potassium salt (1:1)DTXSID0063020RefChem:884829DTXCID2038813222-320-13425-46-5potassium;selenocyanate
Show more names
CHNSe·KenocyanatePotassium seLPOTASSIUM SELENOCYANPotassium selenocyatepotassiumselenoisocyanatePotassium isoselenocyanatePotassium selenocyanate,99%Selenocyanic acid potassium
SCHEMBL572486CHEMBL4087109AKOS015833667Potassium selenocyanate, 10% SolutionFP34855NS00083684D94776F844514
Database identifiers
- CAS
3425-46-5- PubChem CID
- 76960
- DTXSID
DTXSID0063020- ChEMBL
CHEMBL4087109- EC Number
- 222-320-1
- Nikkaji
- J4.453I
Properties
Computed structural properties
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 31.3
Physicochemical properties
- Melting point
- 147 °C · 147 °C
- Density
- 2.347 · 2.347
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Solid, Powder, Crystals and/or Chunks
- color
- White to off-white
- Specific Gravity
- 2.347 · 2.347
- Water Solubility
- Soluble in water, ethanol, dimethyl formamide, hexamethylphosphoramide, acetonitrile and methanol. Slightly soluble in terahydrofuran.
- Sensitive
- Moisture Sensitive
- BRN
- 3912121 · 3912121
- Exposure limits
- 0.2 mg/m3NIOSH: · ACGIH: TWA 0.2 mg/m3NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
- InChI
- InChI=1S/CHNSe.K/c2-1-3;/h3H;/q;+1/p-1
- InChIKey
- KYEKHFSRAXRJBR-UHFFFAOYSA-M
- SMILES
- C(#N)[Se][K]
- CAS DataBase Reference
- 3425 · 3425-46-5(CAS DataBase Reference)
- EPA Substance Registry System
- Selenocyanic acid, potassium salt (3425-46-5)
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
Danger
H300 (25%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 92 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Selenocyanic acid, potassium salt
Selenocyanic acid, potassium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 2 (25%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VT1400000
- ridadr
- UN 3283 6.1/PG 2
- hs_code
- 28429090
- Toxicity
- guinea pig,LD50,skin,50mg/kg (50mg/kg),SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE",National Technical Information Service. Vol. OTS0536978,
- risk_code
- 23/25-33-50/53-28-23
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSelenocyanic acid, potassium salt (1:1): ACTIVE
Applications
DescriptionPotassium selenocyanate, a crystalline solid, is a reagent for the conversion of alkyl halides to nitriles and for the production of pharmaceutical intermediates. It is also used in the field of energy storage devices.
UsesPotassium selenocyanate is used to prepare triphenylphosphine selenide by reacting with triphenylphosphine. It finds application in solid state NMR of heavy-metal nuclei which results in the preparation of several mercury thiocyanate and selenocyanate compounds.
UsesIncreasing interest in solid state NMR of heavy-metal nuclei results in the preparation of several Hg-thiocyanate and selenocyanate compounds as potential models. Bowmaker, G.A. et al. Inorg. Chem. 1998, 37, 1734.
Preparation methods
PreparationSelenium reacts with pure potassium cyanide to form potassium selenocyanate, which can also be obtained by reacting in hot water or ethanol: Se + KCN → KSeCN However, the reaction of selenocyanate ions with alcohols produces odorous alkyl selenocyanates, and the reaction in ethanol is also undesirable. Selenium reacts with potassium ferrocyanide to obtain potassium selenocyanate: K4[Fe(CN)6] + 4 Se → eutectic → 4 KSeCN + FeC2 + N2 →
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
5 records
Compound notes
Loading…