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CAS No.: | 161712-77-2 |
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Name: | 5,6-Difluoroindanone |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H6F2O |
Molecular Weight: | 168.14 |
Synonyms: | 5,6-Difluoro-1-indanone;5,6-Difluoro-2,3-dihydro-1H-inden-1-one;1H-inden-1-one, 5,6-difluoro-2,3-dihydro-;5,6-Difluor-2,3-dihydro-1H-inden-1-on;5,6-Difluorindan-1-on;5,6-difluoro-2,3-dihydro-1H-inden-1-one; |
Density: | 1.362 g/cm3 |
Boiling Point: | 251.286 °C at 760 mmHg |
Flash Point: | 95.65 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 17.07000 |
LogP: | 2.09370 |
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The 5,6-Difluoroindanone, with the CAS registry number 161712-77-2, has the systematic name of 5,6-difluoro-2,3-dihydro-1H-inden-1-one. It belongs to the product categories of Indanone & Indene. And the molecular formula of this chemical is C9H6F2O.
The physical properties of 5,6-Difluoroindanone are as following: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 38.545 cm3; (9)Molar Volume: 123.441 cm3; (10)Polarizability: 15.281×10-24cm3; (11)Surface Tension: 41.013 dyne/cm; (12)Density: 1.362 g/cm3; (13)Flash Point: 95.65 °C; (14)Enthalpy of Vaporization: 48.859 kJ/mol; (15)Boiling Point: 251.286 °C at 760 mmHg; (16)Vapour Pressure: 0.021 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1F)CCC2=O
(2)InChI: InChI=1/C9H6F2O/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2H2
(3)InChIKey: OSJRTWXVMCRBKZ-UHFFFAOYAB