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| CAS No.: | 480-90-0 |
|---|---|
| Name: | 1H-Inden-1-one |
| Article Data: | 72 |
| Molecular Structure: | |
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| Formula: | C9H6O |
| Molecular Weight: | 130.146 |
| Synonyms: | Indone (6CI,8CI);Inden-1-one; |
| Density: | 1.201 g/cm3 |
| Melting Point: | 0 °C |
| Boiling Point: | 254.1 °C at 760 mmHg |
| Flash Point: | 105.3 °C |
| PSA: | 17.07000 |
| LogP: | 1.89610 |
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Specification
This chemical is called 1H-Inden-1-one, and it can also be named as Inden-1-one. The molecular formula of this chemical is C9H6O, its molecular weight is 132.23. The CAS registry number of this chemical is 480-90-0.
Other characteristics of the 1H-Inden-1-one can be summarised as follows: (1)ACD/LogP: 2.22; (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: 1.622; (8)Molar Refractivity: 38.16 cm3; (9)Molar Volume: 108.3 cm3; (10)Polarizability: 15.12×10-24 cm3; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.201 g/cm3; (13)Flash Point: 105.3 °C; (14)Enthalpy of Vaporization: 49.15 kJ/mol; (15)Boiling Point: 254.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0176 mmHg at 25°C.
Production method of this chemical: The 1H-Inden-1-one could be obtained by the reactant of 9,9-dichloro-bicyclo[5.2.0]nona-2,4-dien-8-one. This reaction needs the reagent of NEt3, and the solvent of CH2Cl2. The yield is 68 %. In addition, this reaction should be taken for 2 hours at the temperature of 10 °C.
![The 1H-Inden-1-one could be obtained by the reactant of 9,9-dichloro-bicyclo[5.2.0]nona-2,4-dien-8-one.](/UserFilesUpload/Preparation of 1H-Inden-1-one.jpg)
Uses of this chemical: The trans-2,3-dibromoindanone could be obtained by the reactant of 1H-Inden-1-one. This reaction needs the reagent of Br2, and the solvent of CCl4. The yield is 100 %. This reaction should be taken at the temperature of 25 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C/2c1ccccc1\C=C\2
2.InChI: InChI=1/C9H6O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-6H
3.InChIKey: SNWQUNCRDLUDEX-UHFFFAOYAM