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| CAS No.: | 5392-86-9 |
|---|---|
| Name: | 2,4-dichlorophenetole |
| Molecular Structure: | |
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| 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