sodium cyanate

• ChemBase ID: 111280
• Molecular Formular: CNNaO
• Molecular Mass: 65.00657
• Monoisotopic Mass: 64.98775791
• SMILES: [Na+].[O-]C#N
• Canonical SMILES: [O-]C#N.[Na+]
• InChI: InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1
• InChIKey: ZVCDLGYNFYZZOK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium cyanate
• IUPAC Traditional name: sodium cyanate; potassium cyanate
• Synonyms: Zassol; Sodium cyanate; Sodium isocyanate; SODIUM CYANATE; 氰酸钠

Database IDs

• CAS Number: 917-61-3
• EC Number: 213-030-6
• MDL Number: MFCD00011121
• Beilstein Number: 3655041
• PubChem SID: 162096593; 24850666
• PubChem CID: 517096

CALCULATED PROPERTIES

• Acid pKa: 0.35919684
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.534109
• LogD (pH = 7.4): -3.5371897
• Log P: -0.53806055
• Molar Refractivity: 19.7705 cm^3
• Polarizability: 2.8882353 Å^3
• Polar Surface Area: 46.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: GS7000000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-52/53; R:22-52/53
• Safety Statements: 24/25-61; S:61-24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H412
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 96%
• Linear Formula: NaOCN

DETAILS

MP Biomedicals - 05218494

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 185086

Packaging
5, 100, 500 g in glass bottle