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| CAS No.: | 446-22-0 |
|---|---|
| Name: | 2-Fluoropropiophenone |
| Molecular Structure: | |
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| Formula: | C9H9FO |
| Molecular Weight: | 152.168 |
| Synonyms: | Propiophenone,2'-fluoro- (8CI);1-(2-Fluorophenyl)-1-propanone;2-Fluorophenyl ethyl ketone;ZINC00409283;2'-Fluoropropiophenone;AC1LBAO6;Ethyl 2-Fluorophenyl Ketone;AC1Q2RO4; |
| EINECS: | 244-220-7 |
| Density: | 1.074 g/cm3 |
| Melting Point: | 95-99 °C |
| Boiling Point: | 204.119 °C at 760 mmHg |
| Flash Point: | 77.067 °C |
| Solubility: | Insoluble in water |
| Appearance: | Pale yellow oil |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 2.22730 |
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Specification
The 1-Propanone,1-(2-fluorophenyl)- with CAS registry number of 446-22-0 is also known as 2-Fluorophenyl ethyl ketone. The IUPAC name is 1-(2-Fluorophenyl)propan-1-one. Its EINECS registry number is 244-220-7. In addition, the formula is C9H9FO and the molecular weight is 152.17. This chemical is a colorless liquid and should be sealed in cool and dry place away from oxidizing agents.
Physical properties about 1-Propanone,1-(2-fluorophenyl)- are: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.107; (3)ACD/LogD (pH 7.4): 2.107; (4)ACD/BCF (pH 5.5): 23.495; (5)ACD/BCF (pH 7.4): 23.495; (6)ACD/KOC (pH 5.5): 333.393; (7)ACD/KOC (pH 7.4): 333.393; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.489; (11)Molar Refractivity: 40.907 cm3; (12)Molar Volume: 141.68 cm3; (13)Surface Tension: 32.918 dyne/cm; (14)Density: 1.074 g/cm3; (15)Flash Point: 77.067 °C; (16)Enthalpy of Vaporization: 44.035 kJ/mol; (17)Boiling Point: 204.119 °C at 760 mmHg; (18)Vapour Pressure: 0.268 mmHg at 25 °C.
Uses of 1-Propanone,1-(2-fluorophenyl)-: it is used to produce 1-(2-fluoro-phenyl)-2-methyl-3-pyrrolidin-1-yl-propan-1-one by reaction with formaldehyde and pyrrolidine hydrochloride. The reaction occurs with reagent HCl (gas) and solvent propan-2-ol with other condition of heating. The yield is about 33%.
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You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCC(=O)C1=CC=CC=C1F
2. InChI: InChI=1S/C9H9FO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
3. InChIKey: NSNSIFGTEGKZFK-UHFFFAOYSA-N