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| CAS No.: | 16214-27-0 |
|---|---|
| Name: | 1,2-Indanedione |
| Molecular Structure: | |
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| Formula: | C9H6O2 |
| Molecular Weight: | 146.145 |
| Synonyms: | 1,2-Indandione(8CI);3-hydrocyclopenta[1,2-a]benzene-1,2-dione; |
| EINECS: | 210-109-7 |
| Density: | 1.31 g/cm3 |
| Melting Point: | 117-124°C |
| Boiling Point: | 273.8 °C at 760 mmHg |
| Flash Point: | 106.4 °C |
| Appearance: | solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41-43-52/53 |
| Safety: | 24/25 |
| PSA: | 34.14000 |
| LogP: | 0.99450 |
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Specification
The CAS register number of 1,2-Indanedione is 16214-27-0. It also can be called as 1H-Indene-1,2(3H)-dione and the IUPAC name about this chemical is 3H-indene-1,2-dione. The molecular formula about this chemical is C9H6O2 and molecular weight is 146.14. It belongs to the Pharmacetical. When you are using it, please avoid contact with skin and eyes.
Physical properties about 1,2-Indanedione are: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.39; (7)ACD/KOC (pH 7.4): 34.39; (8)#H bond acceptors: 2; (9)Polar Surface Area: 34.14Å2; (10)Index of Refraction: 1.61; (11)Molar Refractivity: 38.68 cm3; (12)Molar Volume: 111.5 cm3; (13)Polarizability: 15.33x10-24cm3; (14)Surface Tension: 54.3 dyne/cm; (15)Flash Point: 106.4 °C; (16)Enthalpy of Vaporization: 51.22 kJ/mol; (17)Boiling Point: 273.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0056 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CC2=O
(2)InChI: InChI=1/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
(3)InChIKey: WFFZGYRTVIPBFN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
(5)Std. InChIKey: WFFZGYRTVIPBFN-UHFFFAOYSA-N