PYRIDINE-2,3-DICARBONITRILE

The 2,3-Dicyanopyridine, with the CAS registry number 17132-78-4, is also known as 2,3-Pyridinedicarbonitrile. It belongs to the product categories of Pyridine; Dicyanopyrazines, etc. (Building Blocks for Phthalonitriles & Naphthalonitriles); Functional Materials; Phthalonitriles & Naphthalonitriles. This chemical's molecular formula is C₇H₃N₃ and molecular weight is 129.12. What's more, its IUPAC name is pyridine-2,3-dicarbonitrile. 

Physical properties of 2,3-Dicyanopyridine are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 33.35; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 60.47 Å²; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 33.68 cm³; (12)Molar Volume: 102.9 cm³; (13)Polarizability: 13.35×10^-24cm³; (14)Surface Tension: 68.4 dyne/cm; (15)Density: 1.25 g/cm³; (16)Flash Point: 120 °C; (17)Enthalpy of Vaporization: 58.59 kJ/mol; (18)Boiling Point: 342.2 °C at 760 mmHg; (19)Vapour Pressure: 7.64E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-oxy-nicotinonitrile, hydrocyanic acid; sodium salt at the temperature of 100 - 110 °C. This reaction will need reagents triethylamine, chlorotrimethylsilane and solvent dimethylformamide with the reaction time of 8 hours. The yield is about 53%.

Uses of 2,3-Dicyanopyridine: it can be used to produce 5'-mercapto-[7,7']bi[pyrrolo[3,4-b]pyridinylidene]-5-thione at the temperature of 20 - 40 °C. It will need reagent 25% NH₄OH, H₂S and solvent methanol with the reaction time of 4 hours. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(N=C1)C#N)C#N
(2)InChI: InChI=1S/C7H3N3/c8-4-6-2-1-3-10-7(6)5-9/h1-3H
(3)InChIKey: GHFGOVUYCKZOJH-UHFFFAOYSA-N