The 1,4-Benzenedicarbonitrile,2-(trifluoromethoxy)-, with the CAS registry number 175278-16-7, has the systematic name of 2-(trifluoromethoxy)benzene-1,4-dicarbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H3F3N2O.
The characteristics of 1,4-Benzenedicarbonitrile,2-(trifluoromethoxy)- are as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.12; (6)ACD/BCF (pH 7.4): 23.12; (7)ACD/KOC (pH 5.5): 329.53; (8)ACD/KOC (pH 7.4): 329.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.81 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 42.61 cm3; (15)Molar Volume: 148.4 cm3; (16)Polarizability: 16.89×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 124.5 °C; (20)Enthalpy of Vaporization: 52.11 kJ/mol; (21)Boiling Point: 282.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00339 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust, and wear suitable protective clothing, gloves and eye/face protection.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)Oc1cc(C#N)ccc1C#N
(2)InChI: InChI=1/C9H3F3N2O/c10-9(11,12)15-8-3-6(4-13)1-2-7(8)5-14/h1-3H
(3)InChIKey: SIJNPBWOOSQUOS-UHFFFAOYAR
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