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Reported in EPA TSCA Inventory.
DOT Classification: 6.1; Label: Poison, Corrosive
The 2-(2-Carbonochloridoyloxyethoxy)ethyl carbonochloridate with CAS registry number of 106-75-2 is also called Carbonochloridic acid,C,C'-(oxydi-2,1-ethanediyl) ester. The IUPAC name is oxydiethane-2,1-diyl dicarbonochloridate. Its EINECS registry number is 203-430-9. In addition, the formula is C6H8Cl2O5 and the molecular weight is 231.03072.
Physical properties about this chemical are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.94; (6)ACD/BCF (pH 7.4): 16.94; (7)ACD/KOC (pH 5.5): 263.77; (8)ACD/KOC (pH 7.4): 263.77; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 44.83 cm3; (15)Molar Volume: 163.6 cm3; (16)Polarizability: 17.77 ×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 118.2 °C; (20)Enthalpy of Vaporization: 51.87 kJ/mol; (21)Boiling Point: 280 °C at 760 mmHg; (22)Vapour Pressure: 0.00388 mmHg at 25°C.
Uses of 2-(2-Carbonochloridoyloxyethoxy)ethyl carbonochloridate: it can be used to get bis-(2-chloro-ethyl) ether. This reaction will need reagent hexabutylguanidinium chloride. The reaction time is 4 hours at reaction temperature of 120 °C. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
It is flammable, irritating to skin and harmful if swallowed. It is toxic by inhalation and toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. What's more, it can cause burns and risk of serious damage to the eyes. When you are using it, you should keep away from sources of ignition and avoid release to the environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). You should take off immediately all contaminated clothing and refer to special instructions / safety data sheets. At last, you should not breathe vapour.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)OCCOCCOC(Cl)=O
(2)InChI: InChI=1/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2
(3)InChIKey: XFSAZBKSWGOXRH-UHFFFAOYAA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 169ppm/1H (169ppm) | "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 758, 1978. | |
mouse | LD50 | oral | 813mg/kg (813mg/kg) | "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 758, 1978. | |
mouse | LD50 | skin | 3400mg/kg (3400mg/kg) | "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 4, Pg. 758, 1978. |