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2-Chloroethyl ethyl ether

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2-Chloroethyl ethyl ether

EINECS 211-037-9
CAS No. 628-34-2 Density 0.989 g/cm3
PSA 9.23000 LogP 1.26170
Solubility miscible in water Melting Point -60 °C
Formula C4H9ClO Boiling Point 107.5 °C at 760 mmHg
Molecular Weight 108.568 Flash Point 15.6 °C
Transport Information UN 1992 3/PG 2 Appearance clear colourless to slightly yellow liquid
Safety 36/37/39-26-16 Risk Codes 11-20/22-41-36/37/38
Molecular Structure Molecular Structure of 628-34-2 (2-Chloroethyl ethyl ether) Hazard Symbols FlammableF,HarmfulXn
Synonyms

Ether,2-chloroethyl ethyl (6CI,7CI,8CI);(2-Chloroethoxy)ethane;1-Chloro-2-ethoxyethane;2-Ethoxyethyl chloride;Ethyl b-chloroethyl ether;b-Chlorodiethyl ether;b-Chloroethyl ethyl ether;

Article Data 29

2-Chloroethyl ethyl ether Specification

The Ethane,1-chloro-2-ethoxy-, with CAS registry number 628-34-2, has the systematic name of 1-chloro-2-ethoxyethane. And its IUPAC name is the same one. This chemical is a kind of clear colourless to slightly yellow liquid. What's more, its EINECS is 211-037-9.

Physical properties of Ethane,1-chloro-2-ethoxy-: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.92; (6)ACD/BCF (pH 7.4): 3.92; (7)ACD/KOC (pH 5.5): 92.61; (8)ACD/KOC (pH 7.4): 92.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.399; (14)Molar Refractivity: 27.17 cm3; (15)Molar Volume: 112.3 cm3; (16)Polarizability: 10.77×10-24cm3; (17)Surface Tension: 24.3 dyne/cm; (18)Enthalpy of Vaporization: 33.2 kJ/mol; (19)Vapour Pressure: 31.6 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonyl dichloride and ethoxyethene. This reaction will need reagent triethylamine.

Uses of Ethane,1-chloro-2-ethoxy-: it can be used to produce 6-(2-ethoxy-ethoxy)-3-methyl-benzo[d]isoxazole. This reaction will need solvent dimethylformamide. The reaction time is 3 hour(s) with reaction temperature of 80 - 85 ℃. The yield is about 64%.

When you are using this chemical, please be cautious about it as the following:
The Ethane,1-chloro-2-ethoxy- is highly flammable, so keep it away from sources of ignition. This chemical is harmful by inhalation and if swallowed. And it is also irritates to eyes, respiratory system and skin. It has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCOCC
(2)InChI: InChI=1/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3
(3)InChIKey: GPTVQTPMFOLLOA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3(5)Std. InChIKey: GPTVQTPMFOLLOA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 2500ng/m3/2H (0.0025mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 540, 1986.

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