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5392-86-9

Basic Information
CAS No.: 5392-86-9
Name: 2,4-dichlorophenetole
Article Data: 8
Molecular Structure:
Molecular Structure of 5392-86-9 (2,4-dichlorophenetole)
Formula: C8H8Cl2O
Molecular Weight: 191.057
Synonyms: 2,4-Dichlorophenyl ethyl ether;2,4-Dichlorophenetole;NSC 6309;
EINECS: 226-397-2
Density: 1.241 g/cm3
Melting Point: 32°C
Boiling Point: 239.2 °C at 760 mmHg
Flash Point: 80.9 °C
PSA: 9.23000
LogP: 3.39210
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Specification

The Benzene,2,4-dichloro-1-ethoxy-, with the CAS registry number 5392-86-9, is also known as 2,4-Dichlorophenyl ethyl ether and 2,4-Dichlorophenetole. It belongs to the product category of Phenetole. Its EINECS registry number is 226-397-2. This chemical's molecular formula is C8H8Cl2O and molecular weight is 191.05452. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Dichloro-1-ethoxy-benzene.

Physical properties about Benzene,2,4-dichloro-1-ethoxy- are: (1)ACD/LogP: 3.91; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.527; (9)Molar Refractivity: 47.35 cm3; (10)Molar Volume: 153.8 cm3; (11)Surface Tension: 35.4 dyne/cm; (12)Density: 1.241 g/cm3; (13)Flash Point: 80.9 °C; (14)Enthalpy of Vaporization: 45.68 kJ/mol; (15)Boiling Point: 239.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0627 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)ccc1OCC
(2) InChI: InChI=1/C8H8Cl2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
(3) InChIKey: AWPAAILWWGKSIF-UHFFFAOYAC