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| CAS No.: | 446-29-7 |
|---|---|
| Name: | 4'-Fluoro-2'-methyacetophenone |
| Molecular Structure: | |
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| Formula: | C9H9FO |
| Molecular Weight: | 152.168 |
| Synonyms: | Acetophenone,4'-fluoro-2'-methyl- (8CI);4'-Fluoro-2'-methylacetophenone; |
| Density: | 1.075 g/cm3 |
| Boiling Point: | 218.9 °C at 760 mmHg |
| Flash Point: | 84 °C |
| PSA: | 17.07000 |
| LogP: | 2.33670 |
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Specification
The 4'-Fluoro-2'-Methylacetophenone is an organic compound with the formula C9H9FO. The systematic name of this chemical is 1-(4-fluoro-2-methylphenyl)ethanone. With the CAS registry number 446-29-7, it is also named as ethanone, 1-(4-fluoro-2-methylphenyl)-. Additioanlly, this chemical should be sealed in the container and stored in the ventilate and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.492; (8)Molar Refractivity: 41.09 cm3; (9)Molar Volume: 141.4 cm3; (10)Polarizability: 16.29×10-24 cm3; (11)Surface Tension: 32.3 dyne/cm; (12)Density: 1.075 g/cm3; (13)Flash Point: 84 °C; (14)Enthalpy of Vaporization: 45.53 kJ/mol; (15)Boiling Point: 218.9 °C at 760 mmHg; (16)Vapour Pressure: 0.123 mmHg at 25°C.
Preparation of 4'-Fluoro-2'-Methylacetophenone: It can be obtained by acetyl chloride and 1-fluoro-3-methyl-benzene. This reaction needs reagent AlCl3.
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Uses of 4'-Fluoro-2'-Methylacetophenone: It can react with 2-phenyl-indole-3-carbaldehyde to get 1-(4-fluoro-2-methyl-phenyl)-3-(2-phenyl-1H-indol-3-yl)-propenone. This reaction needs reagent NaOH and solvent ethanol.
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People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1c(cc(F)cc1)C)C
2. InChI:InChI=1/C9H9FO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
3. InChIKey:GCTZPACJEUDZAX-UHFFFAOYAC
4. Std. InChI:InChI=1S/C9H9FO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
5. Std. InChIKey:GCTZPACJEUDZAX-UHFFFAOYSA-N