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60644-92-0

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Basic Information
CAS No.: 60644-92-0
Name: DIOXOLANE418
Molecular Structure:
Molecular Structure of 60644-92-0 (DIOXOLANE418)
Formula: C5Cl2F8O2
Molecular Weight: 314.947
Synonyms: 4,5-Dichloro-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane;Perfluoro-2,2-dimethyl-4,5-dichloro-1,3-dioxolane;
Density: 1.82 g/cm3
Boiling Point: 121.9 °C at 760 mmHg
Flash Point: 27.5 °C
PSA: 18.46000
LogP: 3.57830
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Specification

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,