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| CAS No.: | 628732-11-6 |
|---|---|
| Name: | 4,5-Difluoroindan-1-one |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H6F2O |
| Molecular Weight: | 168.14 |
| Synonyms: | 4,5-Difluoroindan-1-one; |
| Density: | 1.362 g/cm3 |
| Boiling Point: | 259.7 °C at 760 mmHg |
| Flash Point: | 99 °C |
| PSA: | 17.07000 |
| LogP: | 2.09370 |
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Specification
The 4,5-Difluoroindan-1-one is an organic compound with the formula C9H6F2O. The IUPAC name of this chemical is 4,5-difluoro-2,3-dihydroinden-1-one. With the CAS registry number 628732-11-6, it is also named as 1H-inden-1-one, 4,5-difluoro-2,3-dihydro-. The product's category is Indanone & Indene.
Physical properties about 4,5-Difluoroindan-1-one are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.07; (5)ACD/BCF (pH 7.4): 26.07; (6)ACD/KOC (pH 5.5): 359.14; (7)ACD/KOC (pH 7.4): 359.14; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.536; (11)Molar Refractivity: 38.54 cm3; (12)Molar Volume: 123.4 cm3; (13)Polarizability: 15.28×10-24cm3; (14)Surface Tension: 41 dyne/cm; (15)Density: 1.362 g/cm3; (16)Flash Point: 99 °C; (17)Enthalpy of Vaporization: 49.73 kJ/mol; (18)Boiling Point: 259.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0128 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1F)CCC2=O
(2)InChI: InChI=1/C9H6F2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
(3)InChIKey: FHKJIIXGCLYMCN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H6F2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
(5)Std. InChIKey: FHKJIIXGCLYMCN-UHFFFAOYSA-N