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Benzonitrile,4-(4-chlorophenoxy)-

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Name

Benzonitrile,4-(4-chlorophenoxy)-

EINECS N/A
CAS No. 74448-92-3 Density 1.29 g/cm3
PSA 33.02000 LogP 4.00398
Solubility N/A Melting Point 85 °C
Formula C13H8ClNO Boiling Point 354.8 °C at 760 mmHg
Molecular Weight 229.666 Flash Point 168.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 74448-92-3 (4-(4-CHLOROPHENOXY)BENZONITRILE) Hazard Symbols N/A
Synonyms

4-(4-Chlorophenoxy)benzonitrile;

Article Data 23

Benzonitrile,4-(4-chlorophenoxy)- Specification

The CAS registry number of Benzonitrile,4-(4-chlorophenoxy)- is 74448-92-3. This chemical's molecular formula is C13H8ClNO and molecular weight is 229.66. What's more, its systematic name is called 4-(4-Chlorophenoxy)benzonitrile. In addition, this chemical should be stored in a cool, dry and sealed place. It also should be away from oxidant, light and fire.

Physical properties about Benzonitrile,4-(4-chlorophenoxy)- are: (1)ACD/LogP: 4.59; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1820.52; (6)ACD/BCF (pH 7.4): 1820.52; (7)ACD/KOC (pH 5.5): 7503.17; (8)ACD/KOC (pH 7.4): 7503.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 62.59 cm3; (15)Molar Volume: 177.6 cm3; (16)Polarizability: 24.81×10-24 cm3; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 168.4 °C; (20)Enthalpy of Vaporization: 59.99 kJ/mol; (21)Boiling Point: 354.8 °C at 760 mmHg; (22)Vapour Pressure: 3.26E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(Oc1ccc(C#N)cc1)cc2
(2) InChI: InChI=1/C13H8ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
(3) InChIKey: SOTAPBLDXLHNRZ-UHFFFAOYAK

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