The 1,3-Dioxolane, 2,2-bis(trifluoromethyl)-4,5-dichloro-4,5-difluoro-, with the CAS registry number 60644-92-0, is also known as 2,2-Bis(trifluoromethyl)-4,5-dichloro-4,5-difluoro-1,3-dioxolane. This chemical's molecular formula is C5Cl2F8O2 and molecular weight is 314.9455. Its systematic name is called 4,5-dichloro-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
Physical properties of 1,3-Dioxolane, 2,2-bis(trifluoromethyl)-4,5-dichloro-4,5-difluoro-: (1)ACD/LogP: 6.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.48; (4)ACD/LogD (pH 7.4): 6.48; (5)ACD/BCF (pH 5.5): 49920.88; (6)ACD/BCF (pH 7.4): 49920.88; (7)ACD/KOC (pH 5.5): 80280.96; (8)ACD/KOC (pH 7.4): 80280.96; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.352; (11)Molar Refractivity: 37.29 cm3; (12)Molar Volume: 172.3 cm3; (13)Surface Tension: 22.1 dyne/cm; (14)Density: 1.82 g/cm3; (15)Flash Point: 27.5 °C; (16)Enthalpy of Vaporization: 34.51 kJ/mol; (17)Boiling Point: 121.9 °C at 760 mmHg; (18)Vapour Pressure: 17.1 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC1(F)OC(OC1(Cl)F)(C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C5Cl2F8O2/c6-2(8)3(7,9)17-1(16-2,4(10,11)12)5(13,14)15
(3)InChIKey: PQTSJAIWJYMBOX-UHFFFAOYAJ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LCLo | inhalation | 79536ppm/4H (79536ppm) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0571656, |
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