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| CAS No.: | 7649-92-5 |
|---|---|
| Name: | 2-(4-Fluorobenzoyl)benzoic acid |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C14H9FO3 |
| Molecular Weight: | 244.222 |
| Synonyms: | 2-(4-fluorobenzoyl)benzoic acid (IM OCS); |
| EINECS: | 231-604-4 |
| Density: | 1.325 g/cm3 |
| Melting Point: | 138-140 °C(lit.) |
| Boiling Point: | 443.1 °C at 760 mmHg |
| Flash Point: | 221.7 °C |
| Appearance: | solid |
| PSA: | 54.37000 |
| LogP: | 2.75490 |
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| Conditions | Yield |
|---|---|
| With aluminum (III) chloride at 20℃; Friedel-Crafts Acylation; Heating; | 97% |
| With sodium carbonate In dichloromethane at 20℃; for 0.2h; Reagent/catalyst; Solvent; Temperature; Friedel-Crafts Acylation; | 94.6% |
| With aluminum (III) chloride at 75℃; for 3h; Friedel Crafts Acylation; | 85% |
- 85-44-9
phthalic anhydride
- 352-13-6
4-flourophenylmagnesium bromide
- 7649-92-5
2-(4-fluorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: phthalic anhydride; 4-flourophenylmagnesium bromide In tetrahydrofuran at 30℃; for 1h; Stage #2: With hydrogenchloride In water; toluene at 35℃; for 1h; | 69% |
- 2251-76-5
2-(4-fluorophenyl)-2-oxoacetic acid
- 65-85-0
benzoic acid
- 7649-92-5
2-(4-fluorobenzoyl)benzoic acid
| Conditions | Yield |
|---|---|
| With palladium(II) trifluoroacetate; silver carbonate In 1,2-dimethoxyethane at 150℃; for 24h; Sealed tube; chemoselective reaction; | 62% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; aluminium chloride In fluorobenzene; hexane; benzene | 33.5 parts (80.7%) |
| With hydrogenchloride; aluminium chloride In fluorobenzene; hexane; benzene | 33.5 parts (80.7%) |
- 7649-92-5
2-(4-fluorobenzoyl)benzoic acid
- 92260-98-5
3-chloro-3-(para-fluorophenyl)-1-(3H)-isobenzofuranone
| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 4h; Inert atmosphere; | 100% |
| With thionyl chloride for 5h; Heating; | |
| With thionyl chloride for 2h; Reflux; | |
| With thionyl chloride; N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 4h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 85 - 95℃; for 2h; | 88.1% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol for 5h; Heating; | 86% |
- 7649-92-5
2-(4-fluorobenzoyl)benzoic acid
- 122365-23-5
N-[(diphenylphosphinoyl)methyl]-N-methylamine
- 175857-54-2
N-diphenylphosphinoylmethyl-N-methyl-2-(4-fluorobenzoyl)benzamide
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane for 2h; Ambient temperature; | 85% |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; sodium acetate; tetra-(n-butyl)ammonium iodide In tetrahydrofuran; water at 80℃; for 12h; | 85% |
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol at 70℃; under 15200 Torr; for 12h; | 83% |
| With hydrogen; palladium on activated charcoal In methanol at 70℃; under 15200 Torr; for 12h; | 83% |
| With hydrogen; palladium 10% on activated carbon In propylene glycol monomethyl ether at 50℃; for 18h; | 83% |
| With sodium hydroxide; coppered zinc | |
| With ammonium hydroxide; zinc |
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Specification
This chemical is called 2-(4-Fluorobenzoyl)benzoic acid, and it's also named as benzoic acid, 2-(4-fluorobenzoyl)-. With the molecular formula of C14H9FO3, its molecular weight is 244.2179. The CAS registry number of this chemical is 7649-92-5. Additionally, its product categories are C13 to C42+; Carbonyl Compounds; Carboxylic Acids. However, keep this chemical in the cool and dry place where there is no oxides and the room is ventilated.
Other characteristics of the 2-(4-Fluorobenzoyl)benzoic acid can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.81; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 ?2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 62.96 cm3; (15)Molar Volume: 184.2 cm3; (16)Polarizability: 24.96×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 221.7 °C; (20)Enthalpy of Vaporization: 73.84 kJ/mol; (21)Boiling Point: 443.1 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-08 mmHg at 25°C.
Uses of this chemical: The 2-(4-Fluorobenzoyl)benzoic acid could react with phenylhydrazine to obtain the 1-oxo-2-phenyl-4-p-fluorophenyl-1,2-dihydrophthalazine. This reaction needs the reagent of acetic acid. The yield is 60 %. In addition, this reaction should be taken for 2 hours at the temperature of 100 °C.
benzoic acid.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(F)cc1)c2ccccc2C(=O)O
2.InChI: InChI=1/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
3.InChIKey: FJAZVXUPZQSZKI-UHFFFAOYAJ