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4'-Fluoro-2'-Methylacetophenone

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Name

4'-Fluoro-2'-Methylacetophenone

EINECS N/A
CAS No. 446-29-7 Density 1.075 g/cm3
PSA 17.07000 LogP 2.33670
Solubility N/A Melting Point N/A
Formula C9H9FO Boiling Point 218.9 °C at 760 mmHg
Molecular Weight 152.168 Flash Point 84 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 446-29-7 (4'-Fluoro-2'-methyacetophenone) Hazard Symbols N/A
Synonyms

Acetophenone,4'-fluoro-2'-methyl- (8CI);4'-Fluoro-2'-methylacetophenone;

Article Data 5

4'-Fluoro-2'-Methylacetophenone 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.

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.
 

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

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