4-Cyanopyridinium-1-olate

Molecular Structure of 4-Cyanopyridinium-1-olate (CAS NO.14906-59-3):

IUPAC Name: 1-oxidopyridin-1-ium-4-carbonitrile 
Empirical Formula: C₆H₄N₂O
Molecular Weight: 120.1088
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 47.9Ų
Index of Refraction: 1.567
Molar Refractivity: 34.36 cm³
Molar Volume: 105.2 cm³
Surface Tension: 48.8 dyne/cm
Density: 1.14 g/cm³
Flash Point: 185.3 °C
Enthalpy of Vaporization: 63.11 kJ/mol
Boiling Point: 382.7 °C at 760 mmHg
Vapour Pressure: 4.63E-06 mmHg at 25°C
Melting point: 223-225 °C(lit.)
EINECS: 238-974-6
Product Categories: Heterocyclic Compounds; Heterocycles; Nitric Oxide Reagents
InChI
InChI=1/C6H4N2O/c7-5-6-1-3-8(9)4-2-6/h1-4H
Smiles
N#Cc1ccn(=O)cc1

Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36/37/39-22-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S22:Do not breathe dust. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant

  4-Cyanopyridinium-1-olate , with CAS number of 14906-59-3, can be called 4-Cyanopyridine oxide ; 4-cyanopyridinium-1-olate ; 4-pyridinecarbonitrile 1-oxide ; 4-pyridinecarbonitrile, 1-oxide ; Isonicotinonitrile 1-oxide ; Isonicotinonitrile, 1-oxide . It is a pale-green solid, used as an anti-bacterial agent.