sodium iminomethanide

• ChemBase ID: 105864
• Molecular Formular: CNNa
• Molecular Mass: 49.00717
• Monoisotopic Mass: 48.99284329
• SMILES: [Na+].[C-]#N
• Canonical SMILES: [C-]#N.[Na+]
• InChI: InChI=1S/CN.Na/c1-2;/q-1;+1
• InChIKey: MNWBNISUBARLIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium iminomethanide
• IUPAC Traditional name: sodium cyanide
• Synonyms: Sodium cyanide, ACS; Sodium cyanide, granules; Sodium cyanide; Cyanogran; Hydrocyanic Acid, Sodium Salt; SODIUM CYANIDE ACS REAGENT GRADE; 氰化钠, ACS; 氰化钠, 颗粒

Database IDs

• CAS Number: 143-33-9
• EC Number: 205-599-4
• MDL Number: MFCD00003523
• Beilstein Number: 3587243
• Merck Index: 148605
• PubChem SID: 162092971
• PubChem CID: 8929
• CHEMBL: 1644697
• Chemspider ID: 8587
• Wikipedia Title: Sodium_cyanide

CALCULATED PROPERTIES

• Acid pKa: 9.5
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• Molar Refractivity: 15.8149 cm^3
• Polarizability: 2.6105857 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 48 g/100 mL (10 °C) ; 82 g/100 mL (34.7 °C) in water; Soluble in water
• Apperance: Granular; white solid
• Melting Point: 563 °C; 563.7°C; 563°C
• Boiling Point: 1496°C; 1497 °C; ca 1500°C
• Flash Point: Non-flammable
• Density: 1.595 g/cm^3; 1.595 g/cm^3 at 20 °C; 1.61
• Refractive Index: 1.452
• Vapor Pressure: .1 hPa at 50 °C
• Odor: faint almond-like

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: VZ7525000
• European Hazard Symbols: Dangerous for the environment (N)Corrosive (C); Nature polluting (N); Highly toxic (T+); Very toxic (T+)
• UN Number: 1689; UN1689
• Hazard Class: 6.1
• Packing Group: I
• Australian Hazchem: 2X
• Risk Statements: 26/27/28-32-50/53; R:27/28; R26/27/28, R32, R50/53
• Safety Statements: 7-28-29-45-60-61; S:28-29-36/37/39-45; S1/2, S7, S28, S29, S45, S60, S61
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 157
• TSCA Listed: 是
• EU Index: 006-007-00-5
• GHS Pictograms: GHS06; GHS09
• NFPA704:
  

  0

  4

  0
• LD50: 5.8–15 mg/kg (oral in rats, mice)
• GHS Hazard statements: H300-H310-H330-H400-H410
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A

Product Information

• Purity: ≥95%; 95% min; 98%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02194866

ACS Reagent Grade
Purity: >95%
NOT FOR EXPORT

REFERENCES

• Cyanations of alkyl halides are often carried out most conveniently under phase-transfer conditions: Synth. Commun., 6, 193 (1976); see: E. V. Dehmlow and S. S. Dehmlow, Phase-Transfer Catalysis, 3rd ed., VCH, N.Y. (1993), for further extensive examples. DMSO is also a good solvent for these reactions: J. Org. Chem., 25, 257, 877 (1960).
• For formation of Reissert compounds, see Quinoline, A11545.
• Mild catalyst for the aminolysis of esters to primary amides: J. Org. Chem., 52, 2033 (1987).
• For generation of cyanogen bromide by reaction with bromine, see: Org. Synth. Coll ., 7, 435 (1990).
• See also Potassium cyanide, L13273.