formonitrile

• ChemBase ID: 127741
• Molecular Formular: CHN
• Molecular Mass: 27.02534
• Monoisotopic Mass: 27.01089904
• SMILES: C#N
• Canonical SMILES: C#N
• InChI: InChI=1S/CHN/c1-2/h1H
• InChIKey: LELOWRISYMNNSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formonitrile
• IUPAC Traditional name: cyclon
• Synonyms: Formic anammonide; Hydrocyanic acid; Prussic acid; Zyklon B; Hydrogen cyanide

Database IDs

• CAS Number: 74-90-8
• EC Number: 200-821-6
• PubChem SID: 162222059
• PubChem CID: 768
• CHEBI ID: 18407
• Chemspider ID: 748
• KEGG ID: C01326
• MeSH Name: Hydrogen+Cyanide
• Unique Ingredient Identifier: 2WTB3V159F
• Wikipedia Title: Hydrogen_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: 7.0145 cm^3
• Polarizability: 2.5903203 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in ethanol; Miscible in water
• Apperance: Very pale, blue, transparent liquid
• Melting Point: -14.15 - -12.15°C (259 - 261 K)
• Boiling Point: 25.35 - 26.35°C (298.5 - 299.5 K)
• Flash Point: -17.8 °C
• Auto Ignition Point: 538 °C
• Density: 0.687 g mL^-1
• Refractive Index: 1.2675
• pKa: 9.21
• pKb: 4.79
• Henry Constant: 75 μmol Pa^-1 kg^-1
• Viscosity: 201 μPa s
• Odor: Oil of bitter almond
• Heat Capacity: 71.00 kJ K^-1 mol^-1 (at 27 °C)
• Std enthalpy of combustion: 642 kJ mol^-1
• Std enthalpy of formation: -4.999 MJ kg^-1
• Std molar entropy: 113.01 J K^-1 mol^-1

Safety Information

• RTECS: MW6825000
• European Hazard Symbols: Highly flammable (F+); Nature polluting (N); Highly toxic (T+)
• UN Number: 1051
• Risk Statements: R12, R26/27/28, R50/53
• Safety Statements: S1/2, S16, S36/37, S38, S45, S53, S59, S61
• EU Index: 006-006-00-X
• NFPA704:
  

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