Tetrafluorophthalonitrile (1835-65-0)

The 3,4,5,6-Tetrafluorophthalonitrile, with the CAS registry number 1835-65-0, is also known as 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrafluoro-. It belongs to the product categories of Pharmacetical; Functional Materials; Phthalonitriles & Naphthalonitriles; Phthalonitriles (Building Blocks for Phthalocyanines). Its EINECS registry number is 217-400-8. This chemical's molecular formula is C₈F₄N₂ and molecular weight is 200.09. Its IUPAC name is called 3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile. This chemical is white to tan powder, crystals, crystalline powder and/or chunks.

Physical properties of 3,4,5,6-Tetrafluorophthalonitrile: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.88; (8)ACD/KOC (pH 7.4): 17.88; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.474; (11)Molar Refractivity: 36.33 cm³; (12)Molar Volume: 129.2 cm³; (13)Surface Tension: 42.5 dyne/cm; (14)Density: 1.54 g/cm³; (15)Melting Point: 81-86 °C(lit.); (16)Flash Point: 119.6 °C; (17)Enthalpy of Vaporization: 51.25 kJ/mol; (18)Boiling Point: 274.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00549 mmHg at 25°C.

Uses of 3,4,5,6-Tetrafluorophthalonitrile: it can be used to produce 3,4,5,6-tetrakis-hexyloxy-phthalonitrile at temperature of 100 °C. This reaction is will need reagent K₂CO₃ and solvent dimethylformamide with reaction time of 24 hours. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)C#N
(2)InChI: InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
(3)InChIKey: OFLRJMBSWDXSPG-UHFFFAOYSA-N