sodiumcarbonitrile

• ChemBase ID: 153656
• Molecular Formular: CNNa
• Molecular Mass: 49.00717
• Monoisotopic Mass: 48.99284329
• SMILES: C(#N)[Na]
• Canonical SMILES: [Na]C#N
• InChI: InChI=1S/CN.Na/c1-2
• InChIKey: RTVFYQXEHKQMKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodiumcarbonitrile
• IUPAC Traditional name: NaCN
• Synonyms: Sodium cyanide; 氰化钠

Database IDs

• CAS Number: 143-33-9
• EC Number: 205-599-4
• MDL Number: MFCD00003523
• Beilstein Number: 3587243
• PubChem SID: 24886191; 24886192; 24852314; 24863778; 162247795
• PubChem CID: 8929

CALCULATED PROPERTIES

• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.0901
• LogD (pH = 7.4): 0.0901
• Log P: 0.0901
• Molar Refractivity: 6.6556 cm^3
• Polarizability: 4.0991096 Å^3

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M at 20 °C, clear, colorless
• Apperance: lumps
• Melting Point: 563.7 °C(lit.)
• Vapor Pressure: 1 mmHg ( 817 °C)
• Vapor Density: 1.7 (vs air)
• Absorption Wavelength: λ: 260 nm Amax: 0.07; λ: 280 nm Amax: 0.045
• pH: 11.0-12.0 (25 °C, 1 M in H2O)

Safety Information

• RTECS: VZ7525000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1689
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/27/28-32-50/53
• Safety Statements: 7-28-29-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1689 6.1/PG 1
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: ≥90.0%; ≥95.0%; ≥96.0% (AT); ≥97.0%; ≥97.0% (AT); 97%; 98.0% NaCN basis
• Grade: ACS reagent; JIS special grade; puriss. p.a.; purum p.a.; reagent grade; SAJ first grade
• Impurities: insoluble matter, passes filter test
• Cation Traces: Ag: ≤5 mg/kg; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤100 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.005%; Fe: ≤50 mg/kg; K: ≤1000 mg/kg; K: ≤200 mg/kg; K: ≤2000 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.005%; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Tl: ≤5 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.15%; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤1500 mg/kg; chloride (Cl-): ≤2000 mg/kg; phosphate (PO43-): ≤0.02%; phosphate (PO43-): ≤200 mg/kg; phosphate (PO43-): ≤50 mg/kg; S2-: ≤0.005%; SCN-: ≤0.02%; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤500 mg/kg; sulfide (S2-): ≤10 mg/kg; thiocyanate (SCN-): ≤100 mg/kg
• λ: 1 M in H2O
• Product Line: BioUltra
• Linear Formula: NaCN

DETAILS

Sigma Aldrich - 71429

Other Notes
Enzyme inhibitor e.g. adenosylmethionine decarboxylase from E. coli1

Sigma Aldrich - 205222

Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle

Sigma Aldrich - 71431

Other Notes
Reagent for the decomposition of cassiterite by fusion1,2

Sigma Aldrich - 380970

Packaging
1 kg in poly bottle
100 g in poly bottle
5 g in glass bottle