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Molecular Structure of Cyanopyrazine (CAS NO.19847-12-2):
IUPAC Name: pyrazine-2-carbonitrile
Empirical Formula: C5H3N3
Molecular Weight: 105.0974
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 49.57 Å2
Index of Refraction: 1.54
Molar Refractivity: 26.91 cm3
Molar Volume: 85.7 cm3
Surface Tension: 65.8 dyne/cm
Density: 1.22 g/cm3
Flash Point: 90.7 °C
Enthalpy of Vaporization: 46.26 kJ/mol
Boiling Point: 226.1 °C at 760 mmHg
Vapour Pressure: 0.0834 mmHg at 25°C
Melting point: 18-20°C
InChI
InChI=1/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H
Smiles
N#Cc1nccnc1
EINECS: 243-369-5
Product Categories: Pyrazines, Pyrimidines & Pyridazines; Pyrazine; Pyrazines; Chloropyrazines, etc.;Pyrazines, Pyrimidines & Pyridazines; Building Blocks; Heterocyclic Building Blocks
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: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
Cyanopyrazine , with CAS number of 19847-12-2, can be called Pyrazine-2-carbonitrile ; 2-pyrazinecarbonitrile ; 2-Cyanopyrazine ; Pyrazinecarbonitrile- ; Pyrazinecarbonitrile . Cyanopyrazine (CAS NO.19847-12-2) is mainly used for pharmaceutical raw materials, intermediates, etc.