Molecular Structure of 2-Chloro-5-cyanopyrazine (CAS NO.36070-75-4):
IUPAC Name: 5-chloropyrazine-2-carbonitrile
Empirical Formula: C5H2ClN3
Molecular Weight: 139.5425
CAS Registry Number: 36070-75-4
ACD/LogP: 0.84
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1
ACD/LogD (pH 7.4): 1
ACD/BCF (pH 5.5): 2
ACD/BCF (pH 7.4): 2
ACD/KOC (pH 5.5): 58
ACD/KOC (pH 7.4): 58
H bond acceptors: 3
H bond donors: 0
#Freely Rotating Bonds: 0
Polar Surface Area: 49.57Å2
Index of Refraction: 1.568
Surface Tension: 70.653 dyne/cm
Density: 1.438 g/cm3
Flash Point: 99.887 °C
Enthalpy of Vaporization: 47.851 kJ/mol
Boiling Point: 241.552 °C at 760 mmHg
Vapour Pressure: 0.036 mmHg at 25°C
Melting point: 44-45 ºC
Product Categories: Building Blocks; Pyrazine
2-Chloro-5-cyanopyrazine , its cas register number is 36070-75-4. It also can be called 5-Chloropyrazine-2-carbonitrile ; 5-Chloro-2-pyrazinecarbonitrile ; 2-pyrazinecarbonitrile, 5-chloro- ; 5-chloropyrazine-2-carbonitrile .
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