2,6-Bis(trifluoromethyl)benzonitrile

This chemical is called Benzonitrile, 2,6-bis(trifluoromethyl)-, and its systematic name is 2,6-bis(trifluoromethyl)benzonitrile. With the molecular formula of C₉H₃F₆N, its molecular weight is 239.12. The CAS registry number of this chemical is 25753-25-7. Additionally, its product category is Nitrile.

Other characteristics of the Benzonitrile, 2,6-bis(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 521.89; (6)ACD/BCF (pH 7.4): 521.89; (7)ACD/KOC (pH 5.5): 3067.93; (8)ACD/KOC (pH 7.4): 3067.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 41.3 cm³; (15)Molar Volume: 164.2 cm³; (16)Polarizability: 16.37×10^-24cm³; (17)Surface Tension: 27.7 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 75.8 °C; (20)Enthalpy of Vaporization: 43.8 kJ/mol; (21)Boiling Point: 201.7 °C at 760 mmHg; (22)Vapour Pressure: 0.303 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1c(cccc1C(F)(F)F)C(F)(F)F
2.InChI: InChI=1/C9H3F6N/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3H
3.InChIKey: ANWBHDYEEOSTSE-UHFFFAOYAI