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4,5,6,7-Tetrafluoro-2,3-dihydro-1H-Isoindole

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Name

4,5,6,7-Tetrafluoro-2,3-dihydro-1H-Isoindole

EINECS N/A
CAS No. 55164-86-8 Density 1.454 g/cm3
PSA 12.03000 LogP 2.17500
Solubility N/A Melting Point N/A
Formula C8H5F4N Boiling Point 185.8 °C at 760 mmHg
Molecular Weight 191.13 Flash Point 66.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55164-86-8 (4,5,6,7-tetrafluoroisoindoline) Hazard Symbols N/A
Synonyms

4,5,6,7-Tetrafluor-isoindolin;Spiro[1,3-benzodioxole-2,9'-[9H]fluorene],4,5,6,7-tetrachloro;4,5,6,7-tetrafluoro-1,3-dihydro-isoindole;9,9--fluoren;4,5,6,7-tetrachloro-spiro[benzo[1,3]dioxole-2,9'-fluorene];4,5,6,7-Tetrachlor-spiro<1,3>benzodioxol-2,9'-fluoren;4,5,6,7-Tetrachlor-spiro[benzo[1,3]dioxol-2,9'-fluoren];

 

4,5,6,7-Tetrafluoro-2,3-dihydro-1H-Isoindole Specification

The CAS registry number of 4,5,6,7-Tetrafluoro-2,3-dihydro-1H-isoindole is 55164-86-8. This chemical's molecular formula is C8H5F4N and molecular weight is 191.13. What's more, its IUPAC name and systematic name are the same which is called 4,5,6,7-Tetrafluoro-2,3-dihydro-1H-isoindole.

Physical properties about 4,5,6,7-Tetrafluoro-2,3-dihydro-1H-Isoindole: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.21; (6)ACD/BCF (pH 7.4): 3.93; (7)ACD/KOC (pH 5.5): 75.67; (8)ACD/KOC (pH 7.4): 92.56; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 37.13 cm3; (15)Molar Volume: 131.3 cm3; (16)Surface Tension: 32.9 dyne/cm; (17)Density: 1.454 g/cm3; (18)Flash Point: 66.2 °C; (19)Enthalpy of Vaporization: 42.21 kJ/mol; (20)Boiling Point: 185.8 °C at 760 mmHg; (21)Vapour Pressure: 0.683 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2c1CNCc1c(F)c(F)c2F
(2) InChI: InChI=1/C8H5F4N/c9-5-3-1-13-2-4(3)6(10)8(12)7(5)11/h13H,1-2H2
(3) InChIKey: KYTBTBDYUZVBJP-UHFFFAOYAN

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