Pyridine-2,4-dicarbonitrile (29181-50-8)

The 2,4-Dicyanopyridine with the cas number 29181-50-8 is also called 2,4-Pyridinedicarbonitrile. Both the systematic name and IUPAC name are pyridine-2,4-dicarbonitrile. Its EINECS registry number is 249-492-0. The molecular formula is C₇H₃N₃. This chemical belongs to the following product categories: (1)PYRIDINE; (2)Pyridine series; (3)Pyridines; (4)C7 and C8; (5)Heterocyclic Building Blocks.

The properties of the chemical are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.65; (8)ACD/KOC (pH 7.4): 21.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60.47Ų; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 33.68 cm³; (15)Molar Volume: 102.9 cm³; (16)Polarizability: 13.35×10^-24cm³; (17)Surface Tension: 68.4 dyne/cm; (18)Enthalpy of Vaporization: 49.95 kJ/mol; (19)Vapour Pressure: 0.0113 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to respiratory system and skin, but also risk of serious damage to the eyes. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1nccc(C#N)c1
(2)InChI: InChI=1/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H
(3)InChIKey: HLAGQMFURMNTLW-UHFFFAOYAE