(potassiosulfanyl)carbonitrile

• ChemBase ID: 89741
• Molecular Formular: CKNS
• Molecular Mass: 97.1807
• Monoisotopic Mass: 96.93885169
• SMILES: S(C#N)[K]
• Canonical SMILES: [K]SC#N
• InChI: InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1
• InChIKey: ZNNZYHKDIALBAK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (potassiosulfanyl)carbonitrile
• IUPAC Traditional name: potassium thiocyanate
• Synonyms: Potassium Isothiocyanate; Potassium Rhodanate; Potassium Sulfocyanate; Potassium Thiocyanide; Rodanca; Rhodanide; POTASSIUM THIOCYANATE, ACS; Potassium thiocyanate; Potassium thiocyanate solution; Potassium thiocyanate solution; Potassium thiocyanate concentrate; Potassium rhodanide; Potassium thiocyanate 98%; 硫氰化钾; 硫氰酸钾; 硫代氰酸钾; 硫氰酸钾 溶液

Database IDs

• CAS Number: 333-20-0
• EC Number: 231-791-2; 206-370-1
• MDL Number: MFCD00011413
• Beilstein Number: 3594799
• PubChem SID: 24858907; 24863812; 24852471; 24898354; 24898380; 24861767; 162076597
• PubChem CID: 516872

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.9954
• LogD (pH = 7.4): -0.9954
• Log P: -0.9954
• Molar Refractivity: 14.4491 cm^3
• Polarizability: 7.790246 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless; H2O: soluble8 M at 20 °C, clear, colorless
• Apperance: colorless or white
• Melting Point: 172-175°C; 173 °C(lit.); 173°C
• Boiling Point: 500(dec.)°C
• Density: 1 g/mL at 25 °C(lit.); 1.342 g/mL at 20 °C; 1.89; 1.89 g/ml
• pH: 5.3-8.5 (25 °C, 5%); 5.3-8.7 (25 °C, 1 M in H2O); 5.3-8.7 (25 °C, 5%); 5.3-8.7 (25 °C, 50 mg/mL in H2O); 6-11 (25 °C, 8 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful/Air Sensitive/Light Sensitive/Hygroscopic/Moisture Sensitive/Store under Argon
• RTECS: XL1925000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3288
• German water hazard class: 1; nwg
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 20/21/22-32-52/53; R:22-36/37/38
• Safety Statements: 13-36/37-46-61; 13-61; 36/37-61; S:25-26-36/37/39
• EU Classification: T5
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 151
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302 + H312 + H332-H412; H302-H312-H331-H412; H302-H312-H332-H412; H332
• GHS Precautionary statements: P261-P273-P280-P311; P273-P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (AT); ≥98.5% (AT); ≥99.0%; ≥99.0% (AT); ≥99.5%; ≥99.995%
• Concentration: 0.1 M; 0.1 M KSCN; 1/10 N; 8 M KSCN
• Grade: ACS; ACS reagent; ACS reagent, reag. ISO, reag. Ph. Eur.; JIS special grade; puriss. p.a.; purum; purum p.a.; REAGENT; ReagentPlus®; SAJ first grade
• Packaging: pkg of 0.1 mol (9.718 g KSCN)
• Impurities: <60 ppm total metallic impurities; ≤0.0005% insoluble matter; ≤0.001% ammonium (NH4); ≤0.001% heavy metals (as Pb); ≤0.001% Phosphorus (P); ≤0.005% insol. water; ≤0.005% Insoluble matter; ≤0.01% insol. Alcohol; ≤0.01% insoluble in ethanol; ≤0.025% iodine consuming matters; ≤0.03% ammonium (NH4); insoluble matter, passes filter test; Iodine consuming substances, passes test
• Cation Traces: Al: ≤0.005%; Al: ≤1 mg/kg; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤10 mg/kg; Bi: ≤1 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤10 mg/kg; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤1 mg/kg; Cu: ≤2 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; Fe: ≤2 ppm; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; heavy metals: ≤5 ppm; Li: ≤1 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤1 mg/kg; Mg: ≤5 mg/kg; Mn: ≤1 mg/kg; Mn: ≤5 mg/kg; Mo: ≤1 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤200 mg/kg; Na: ≤2000 mg/kg; Na: ≤50 mg/kg; Na: ≤500 mg/kg; NH4+: ≤0.003%; NH4+: ≤10 mg/kg; NH4+: ≤30 mg/kg; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤1 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤1 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.005%; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤10 mg/kg; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfate (SO42-): ≤500 mg/kg; sulfide (S2-): ≤10 mg/kg; sulfide (S2-): ≤20 mg/kg
• pH Range: 5.3 - 8.7
• Quality: volumetric
• Factor: 1.000 ±0.001
• Product Line: BioUltra
• abs.: absorption1M/267 nm, H2O cut-off; absorption8M/273 nm, H2O cut-off
• Linear Formula: KSCN

DETAILS

MP Biomedicals - 02152566

ACS Reagent Grade
Crystalline

Sigma Aldrich - 497258

Other Notes
Contains I2 consumers
Application
Increasing interest in solid state NMR of heavy-metal nuclei results in the preparation of several Hg-thiocyanate and selenocyanate compounds as potential models.1
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 38140

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.1mol/L; amount of substance 0.1mol (9.718 g KSCN)

Sigma Aldrich - 35194

General description
Visit our Titration Center to learn more.

Sigma Aldrich - P3011

法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 60517

Other Notes
Precipitation of interferon1; Included in culture media where inhibition of the total Gram-negative flora is essential e.g., Listeria Enrichment Broth Base2.

Sigma Aldrich - 207799

Application
Increasing interest in solid state NMR of heavy-metal nuclei results in the preparation of several Hg-thiocyanate and selenocyanate compounds as potential models.1
Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle