2-CHLOROPHENOXYACETONITRILE

The Acetonitrile,2-(2-chlorophenoxy)-, with the CAS registry number 43111-31-5, is also known as ZINC02146977. It belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C₈H₆ClNO and molecular weight is 167.013792. Its IUPAC name is called 2-(2-chlorophenoxy)acetonitrile. This chemical is clear colorless to light yellow liquid.

Physical properties of Acetonitrile,2-(2-chlorophenoxy)-: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 37.11; (5)ACD/BCF (pH 7.4): 37.11; (6)ACD/KOC (pH 5.5): 462.42; (7)ACD/KOC (pH 7.4): 462.42; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.538; (11)Molar Refractivity: 42.37 cm³; (12)Molar Volume: 135.2 cm³; (13)Surface Tension: 43.7 dyne/cm; (14)Density: 1.238 g/cm³; (15)Flash Point: 121.2 °C; (16)Enthalpy of Vaporization: 51.53 kJ/mol; (17)Boiling Point: 276.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00472 mmHg at 25°C.

Uses of Acetonitrile,2-(2-chlorophenoxy)-: it can be used to produce benzoic acid [1-amino-2-(2-chloro-phenoxy)-ethylidene]-hydrazide. This reaction will need reagent NaOEt and solvent ethanol with reaction time of 1 hour. The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)OCC#N)Cl
(2)InChI: InChI=1S/C8H6ClNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,6H2
(3)InChIKey: JWRJGSQLKHGQOT-UHFFFAOYSA-N