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52995-76-3

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Basic Information
CAS No.: 52995-76-3
Name: 1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane
Article Data: 24
Molecular Structure:
Molecular Structure of 52995-76-3 (1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane)
Formula: C7H15ClO3
Molecular Weight: 182.647
Synonyms: 1-(2-CHLORO-ETHOXY)-2-(2-METHOXY-ETHOXY)-ETHANE
Density: 1.046 g/cm3
Boiling Point: 225.2 °C at 760 mmHg
Flash Point: 78.9 °C
PSA: 27.69000
LogP: 0.90480
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Specification

The IUPAC name of this chemical is 1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane. With CAS registry number of 52995-76-3, it is also called Ethane, 1-(2-chloroethoxy)-2-(2-methoxyethoxy)-. In addition, the formula is C7H15ClO3.

Physical properties about 1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.41; (8)ACD/KOC (pH 7.4): 19.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 44.56 cm3; (15)Molar Volume: 174.5 cm3; (16)Polarizability: 17.66×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.046 g/cm3; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 44.29 kJ/mol; (21)Boiling Point: 225.2 °C at 760 mmHg; (22)Vapour Pressure: 0.131 mmHg at 25°C. 

Preparation of 1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane: It can be obtained by 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethanol. This reaction needs reagent SOCl2 and solvent pyridine. The yield is 81%.

1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane can be obtained by 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethanol

Uses of 1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane: It can react with 2,2'-(1,2-phenylenedioxy)diethanol to get 1,2-bis-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-benzene. This reaction needs reagent NaOH. The yield is 30%.

1-(2-Chloro-ethoxy)-2-(2-methoxy-ethoxy)-ethane can react with 2,2'-(1,2-phenylenedioxy)diethanol to get 1,2-bis-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-benzene

You can still convert the following datas into molecular structure:
(1)SMILES:ClCCOCCOCCOC
(2)InChI:InChI=1/C7H15ClO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3
(3)InChIKey:WODLURYTHKQUET-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C7H15ClO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3
(5)Std. InChIKey:WODLURYTHKQUET-UHFFFAOYSA-N