Molecular Structure of 3,4-Pyridinedicarboxamide (CAS No.4663-98-3):
Molecular Formula: C7H7N3O2
Molecular Weight: 165.1494
CAS No: 4663-98-3
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 53.51 Å2
Index of Refraction: 1.62
Molar Refractivity: 42.2 cm3
Molar Volume: 120 cm3
Surface Tension: 72.4 dyne/cm
Density: 1.375 g/cm3
Flash Point: 243.8 °C
Enthalpy of Vaporization: 74.39 kJ/mol
Boiling Point: 479.5 °C at 760 mmHg
Vapour Pressure: 2.34E-09 mmHg at 25°C
Systematic Name: Pyridine-3,4-dicarboxamide
InChI: InChI=1/C7H7N3O2/c8-6(11)4-1-2-10-3-5(4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)
InChIKey: JYUVRSQEAUFLHD-UHFFFAOYAI
Std. InChI: InChI=1S/C7H7N3O2/c8-6(11)4-1-2-10-3-5(4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)
Std. InChIKey: JYUVRSQEAUFLHD-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
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.
WGK Germany: 3
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