The Pyridine,3,5-bis(trifluoromethyl)-, with CAS registry number 20857-47-0, belongs to the following product category: Pyridine. It has the systematic name of 3,5-bis(trifluoromethyl)pyridine. And the chemical formula of this chemical is C7H3F6N.
Physical properties of Pyridine,3,5-bis(trifluoromethyl)-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.33; (6)ACD/BCF (pH 7.4): 25.33; (7)ACD/KOC (pH 5.5): 351.83; (8)ACD/KOC (pH 7.4): 351.84; (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: 1.375; (14)Molar Refractivity: 34.3 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 13.59×10-24cm3; (17)Surface Tension: 19.8 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 28.1 °C; (20)Enthalpy of Vaporization: 34.6 kJ/mol; (21)Boiling Point: 122.9 °C at 760 mmHg; (22)Vapour Pressure: 16.5 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Pyridine,3,5-bis(trifluoromethyl)- irritates to eyes, respiratory system and skin. This chemical is highly flammable. And it is toxic if swallowed. It also has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cnc1)C(F)(F)F
(2)InChI: InChI=1/C7H3F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h1-3H
(3)InChIKey: RQEOYYWUVYZZLL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H3F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h1-3H
(5)Std. InChIKey: RQEOYYWUVYZZLL-UHFFFAOYSA-N
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