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| CAS No.: | 1481-32-9 |
|---|---|
| Name: | 6-Fluoro-1-indanone |
| Article Data: | 23 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7FO |
| Molecular Weight: | 150.152 |
| Synonyms: | 1-Indanone,6-fluoro- (6CI,7CI,8CI); |
| EINECS: | -0 |
| Density: | 1.259 g/cm3 |
| Melting Point: | 61 °C |
| Boiling Point: | 234.6 °C at 760 mmHg |
| Flash Point: | 84.1 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 1.95460 |
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Specification
The 1H-Inden-1-one,6-fluoro-2,3-dihydro- is an organic compound with the formula C9H7FO. The IUPAC name of this chemical is 6-fluoro-2,3-dihydroinden-1-one. With the CAS registry number 1481-32-9, it is also named as 6-Fluroro-1-indanone. The product's categories are Indane/Indanone and Derivatives; Pharmacetical; Indanone & Indene. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.
Physical properties about 1H-Inden-1-one,6-fluoro-2,3-dihydro- are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.71; (5)ACD/BCF (pH 7.4): 27.71; (6)ACD/KOC (pH 5.5): 375.21; (7)ACD/KOC (pH 7.4): 375.21; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 38.55 cm3; (12)Molar Volume: 119.2 cm3; (13)Polarizability: 15.28×10-24cm3; (14)Surface Tension: 42.8 dyne/cm; (15)Density: 1.259 g/cm3; (16)Flash Point: 84.1 °C; (17)Enthalpy of Vaporization: 47.13 kJ/mol; (18)Boiling Point: 234.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0525 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-chloro-1-(4-fluoro-phenyl)-propan-1-one. This reaction will need reagent H2SO4. The reaction time is 1.25 hours with reaction temperature of 140 °C. The yield is about 55%.
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Uses of 1H-Inden-1-one,6-fluoro-2,3-dihydro-: it can be used to produce (6-fluoro-1-hydroxy-indan-1-yl)-acetic acid ethyl ester at temperature of -78 °C. It will need reagent lithium bis(trimethylsilyl)amide and solvent tetrahydrofuran with reaction time of 1 hour. The yield is about 65%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1)CCC2=O
(2)InChI: InChI=1/C9H7FO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
(3)InChIKey: LVUUCFIQQHEFEJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H7FO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
(5)Std. InChIKey: LVUUCFIQQHEFEJ-UHFFFAOYSA-N