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6-Fluoro-1-indanone

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Name

6-Fluoro-1-indanone

EINECS -0
CAS No. 1481-32-9 Density 1.259 g/cm3
PSA 17.07000 LogP 1.95460
Solubility N/A Melting Point 61 °C
Formula C9H7FO Boiling Point 234.6 °C at 760 mmHg
Molecular Weight 150.152 Flash Point 84.1 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 1481-32-9 (6-Fluoro-1-indanone) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

1-Indanone,6-fluoro- (6CI,7CI,8CI);

Article Data 23

6-Fluoro-1-indanone 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%.

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%.

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

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