Benzonitrile,4-(trifluoromethoxy)- (332-25-2)

The 4-trifluoromethoxy-benzonitrile with cas registry number of 332-25-2 has the appearance of clear light yellow liquid. This chemical belongs to several categories including Trifluoroanisole series; Aromatic Nitriles; Nitrile; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds with EINECS registry number of 206-363-3. Both its systematic name and IUPAC name are the same which is called 4-(trifluoromethoxy)benzonitrile.

The physical properties about this chemical are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.13; (6)ACD/BCF (pH 7.4): 95.13; (7)ACD/KOC (pH 5.5): 907.19; (8)ACD/KOC (pH 7.4): 907.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 38.05 cm³; (14)Molar Volume: 138.7 cm³; (15)Surface Tension: 34.1 dyne/cm; (16)Density: 1.34 g/cm³; (17)Flash Point: 82.8 °C; (18)Enthalpy of Vaporization: 42.87 kJ/mol; (19)Boiling Point: 192.5 °C at 760 mmHg; (20)Vapour Pressure: 0.488 mmHg at 25°C ; (21)Refractive index: n20/D 1.452(lit.).

Uses of 4-trifluoromethoxy-benzonitrile: this chemical can react with ethane-1,2-diamine to give 2-(4-trifluoromethoxy-phenyl)-4,5-dihydro-1H-imidazole by using reagent P₂S₅ under condition of heating. The yield is 77%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing and gloves during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(C#N)cc1;
(2)InChI: InChI=1/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H;
(3)InChIKey: XWHIXOMWXCHJPP-UHFFFAOYAH