4-Nitrophenoxyacetonitrile (33901-46-1)

The (4-Nitrophenoxy)acetonitrile with cas registry number of 33901-46-1, is also called 4-Nitrophenoxyacetonitrile,97%; (4-Nitrophenoxy)acetonitrile.

Physical properties of (4-Nitrophenoxy)acetonitrile: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.92; (6)ACD/BCF (pH 7.4): 11.92; (7)ACD/KOC (pH 5.5): 205.18; (8)ACD/KOC (pH 7.4): 205.18; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.84 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 44.02 cm³; (15)Molar Volume: 135.1 cm³; (16)Polarizability: 17.45×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 61 kJ/mol; (19)Vapour Pressure: 1.75E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
(4-Nitrophenoxy)acetonitrile is also harmful by inhalation and if swallowed. So avoid to breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure: (1)SMILES:[O-][N+](=O)c1ccc(OCC#N)cc1; (2)InChI:InChI=1/C8H6N2O3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2; (3)InChIKey:HFRYXZNUOFIXGS-UHFFFAOYAB; (4)Std. InChI:InChI=1S/C8H6N2O3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2; (5)Std. InChIKey:HFRYXZNUOFIXGS-UHFFFAOYSA-N.