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Acetonitrile,2-(2-chlorophenoxy)-

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Name

Acetonitrile,2-(2-chlorophenoxy)-

EINECS -0
CAS No. 43111-31-5 Density 1.238 g/cm3
Solubility Melting Point
Formula C8H6ClNO Boiling Point 276.7 °C at 760 mmHg
Molecular Weight 167.5923 Flash Point 121.2 °C
Transport Information Appearance clear colorless to light yellow liquid
Safety 26-36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 43111-31-5 (Acetonitrile,2-(2-chlorophenoxy)-) Hazard Symbols HarmfulXn
Synonyms

Acetonitrile,(2-chlorophenoxy)- (9CI);Acetonitrile, (o-chlorophenoxy)- (6CI,7CI);(o-Chlorophenoxy)acetonitrile;2-Chlorophenoxyacetonitrile;

 

Acetonitrile,2-(2-chlorophenoxy)- Specification

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

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