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| CAS No.: | 638-56-2 |
|---|---|
| Name: | DIETHYLENE GLYCOL BIS(2-CHLOROETHYL) ETHER |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H16Cl2O3 |
| Molecular Weight: | 231.119 |
| Synonyms: | Ether,bis[2-(2-chloroethoxy)ethyl] (6CI,8CI);1,11-Dichloro-3,6,9-trioxaundecane;Bis(2-(2-chloroethoxy)ethyl) ether;Diethylene glycol bis(2-chloroethyl) ether;NSC 39639;Tetraethylene glycol dichloride;b,b'-Di(b-chloroethoxy)diethyl ether; |
| Density: | 1.141 g/cm3 |
| Boiling Point: | 297.8 °C at 760 mmHg |
| Flash Point: | 108.7 °C |
| Hazard Symbols: |
 T, Xi
|
| Risk Codes: | 21-25 |
| Safety: | 36/37/39-45 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 27.69000 |
| LogP: | 1.51380 |
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Specification
The Ethane,1,1'-oxybis[2-(2-chloroethoxy)-, with the CAS registry number 638-56-2, is also known as Ether,bis[2-(2-chloroethoxy)ethyl] (6CI,8CI). This chemical's molecular formula is C8H16Cl2O3 and molecular weight is 231.1168. What's more, its IUPAC name is 1-(2-Chloroethoxy)-2-[2-(2-chloroethoxy)ethoxy]ethane. It should be stored in airtight containers and placed in a dry place.
Physical properties about Ethane,1,1'-oxybis[2-(2-chloroethoxy)- are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 42.93; (8)ACD/KOC (pH 7.4): 42.93; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 54.04 cm3; (15)Molar Volume: 202.4 cm3; (16)Polarizability: 21.42×10-24 cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.141 g/cm3; (19)Flash Point: 108.7 °C; (20)Enthalpy of Vaporization: 51.62 kJ/mol; (21)Boiling Point: 297.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00234 mmHg at 25 °C.
Preparation of Ethane,1,1'-oxybis[2-(2-chloroethoxy)-: this chemical is prepared by 2,2'-(3-Oxa-pentane-1,5-diyldioxy)-bis-ethanol. This reaction needs reagents thionyl chloride, pyridine and solvent dioxane by heating for 6 hours. The yield is 79 %. And the reaction equation is as followed:
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Use of Ethane,1,1'-oxybis[2-(2-chloroethoxy)-: it is used to produce other chemicals. For example, it is used to produce 3,6,9,12,15-Pentaoxa-heptadecane-1,17-diol. The reaction occurs with reagent 50percent aq. NaOH at temperature of 65 °C. The reaction time is 3 days. The yield is 92 %. And the reaction equation is as followed:
-.png)
When you are dealing with this chemical, you should be very careful. This chemical is harmful in contact with skin and it is toxic if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1) SMILES: ClCCOCCOCCOCCCl
(2) InChI: InChI=1/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
(3) InChIKey: ZCFRYTWBXNQVOW-UHFFFAOYAT
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 1620 uL/kg (1.62 mL/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| rat | LD50 | oral | 180 mg/kg (180 mg/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. |