TETRAFLUORO-1,4-BENZOQUINONE

The 2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetrafluoro-, with the CAS registry number 527-21-9, is also known as Tetrafluoro-1,4-benzoquinone. It belongs to the product categories of Anthraquinones, Hydroquinones and Quinones; Benzoquinones; C3 to C6; Carbonyl Compounds; Ketones. Its EINECS number is 208-411-9. This chemical's molecular formula is C₆F₄O₂ and molecular weight is 180.06. What's more, its systematic name is 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides, heat and fire.

Physical properties of 2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetrafluoro- are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 1.07; (7)ACD/KOC (pH 5.5): 36.48; (8)ACD/KOC (pH 7.4): 36.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 27.39 cm³; (15)Molar Volume: 110.6 cm³; (16)Polarizability: 10.85×10^-24cm³; (17)Surface Tension: 25.1 dyne/cm; (18)Density: 1.62 g/cm³; (19)Flash Point: 44.6 °C; (20)Enthalpy of Vaporization: 37.06 kJ/mol; (21)Boiling Point: 133.1 °C at 760 mmHg; (22)Vapour Pressure: 8.61 mmHg at 25°C.

Uses of 2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetrafluoro-: it can be used to produce 2,5-Difluor-3,6-bis-dimethylamino-benzo-1,4-chinon. It will need solvent ethanol. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(C(=O)C(=C(C1=O)F)F)F)F
(2)InChI: InChI=1S/C6F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
(3)InChIKey: JKLYZOGJWVAIQS-UHFFFAOYSA-N