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

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

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

Product Name

4,5,6,7-tetrafluoroisoindoline

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

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