The Pyridine, 2, 3, 6-trifluoro-4-(trifluoromethyl)- has CAS registry number 84940-46-5. It belongs to the product categories of Heterocyclic Compounds; C6; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C6HF6N and molecular weight is 201.07. What's more, its IUPAC name is 2, 3, 6-Trifluoro-4-(trifluoromethyl)pyridine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant, heat, light, ignition source.
Physical properties about Pyridine, 2, 3, 6-trifluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 5.56; (6)ACD/BCF (pH 7.4): 5.56; (7)ACD/KOC (pH 5.5): 118.81; (8)ACD/KOC (pH 7.4): 118.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.372; (14)Molar Refractivity: 29.3 cm3; (15)Molar Volume: 128.7 cm3; (16)Polarizability: 11.61×10-24 cm3; (17)Surface Tension: 22.3 dyne/cm; (18)Density: 1.561 g/cm3; (19)Flash Point: 41.7 °C; (20)Enthalpy of Vaporization: 36.66 kJ/mol; (21)Boiling Point: 145.3 °C at 760 mmHg; (22)Vapour Pressure: 6.16 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is toxic if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire on contacting with an ignition source.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cc(F)nc1F)C(F)(F)F
(2) InChI: InChI=1/C6HF6N/c7-3-1-2(6(10,11)12)4(8)5(9)13-3/h1H
(3) InChIKey: DODFHNWFNCGXOW-UHFFFAOYAT
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