Benzonitrile,4-(4-chlorophenoxy)- supplier

Name
4-(4-CHLOROPHENOXY)BENZONITRILE
EINECS
CAS No. 74448-92-3
Article Data23
CAS DataBase
Density 1.29 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Chlorophenoxy)benzonitrile;
PSA 33.02000
LogP 4.00398

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

Product Name

4-(4-CHLOROPHENOXY)BENZONITRILE

Benzonitrile,4-(4-chlorophenoxy)- Specification

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