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| CAS No.: | 699-99-0 |
|---|---|
| Name: | 4-Fluoro-1-indanone |
| Article Data: | 13 |
| Molecular Structure: | |
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|
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| Formula: | C9H7FO |
| Molecular Weight: | 150.152 |
| Synonyms: | 1-Indanone,4-fluoro- (7CI,8CI);4-Fluoro-2,3-dihydroinden-1-one;1H-Inden-1-one,4-fluoro-2,3-dihydro-; |
| Density: | 1.259 g/cm3 |
| Melting Point: | 72-76 °C |
| Boiling Point: | 242.752 °C at 760 mmHg |
| Flash Point: | 86.173 °C |
| Solubility: | Soluble in alcohol and chloroform |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| PSA: | 17.07000 |
| LogP: | 1.95460 |
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Specification
4-Fluoro-1-indanone is an organic compound with the formula C9H7FO, and its systematic name is the same with the product name. With the CAS registry number 699-99-0, it is also named as 4-Fluoro-2,3-dihydroinden-1-one. It belongs to the product category of API intermediates. In addition, the molecular weight is 150.15. This chemical is harmful if swallowed. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and light.
Physical properties of 4-Fluoro-1-indanone are: (1)ACD/LogP: 2.201; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.20; (4)ACD/LogD (pH 7.4): 2.20; (5)ACD/BCF (pH 5.5): 27.71; (6)ACD/BCF (pH 7.4): 27.71; (7)ACD/KOC (pH 5.5): 375.21; (8)ACD/KOC (pH 7.4): 375.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 38.551 cm3; (15)Molar Volume: 119.232 cm3; (16)Polarizability: 15.283×10-24cm3; (17)Surface Tension: 42.84 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 86.173 °C; (20)Enthalpy of Vaporization: 47.975 kJ/mol; (21)Boiling Point: 242.752 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cccc1c2CCC1=O
(2)Std. InChI: InChI=1S/C9H7FO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
(3)Std. InChIKey: HOMSJDBZHCPYHY-UHFFFAOYSA-N