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| | 2,4-Dichlorophenylacetic acid Chemical Properties |
| Melting point | 129-131 °C (lit.) | | Boiling point | 294.45°C (rough estimate) | | density | 1.3806 (rough estimate) | | refractive index | 1.5490 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | methanol: 0.1 g/mL, clear | | pka | 3.92±0.10(Predicted) | | form | Crystalline Powder | | color | White to pale yellow-beige | | Water Solubility | SOLUBLE IN HOT WATER | | BRN | 1948767 | | InChI | 1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) | | InChIKey | GXMWLJKTGBZMBH-UHFFFAOYSA-N | | SMILES | OC(=O)Cc1ccc(Cl)cc1Cl | | LogP | -0.3-2.8 at 23℃ and pH2-7 | | CAS DataBase Reference | 19719-28-9(CAS DataBase Reference) | | NIST Chemistry Reference | 2,4-Dichlorophenylacetic acid(19719-28-9) | | EPA Substance Registry System | 2,4-Dichlorophenylacetic acid (19719-28-9) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-67 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,4-Dichlorophenylacetic acid Usage And Synthesis |
| Synthesis | In a 300 ml HC4 autoclave, at 20 bar carbon monoxide pressure and 130°C, a solution of 10 g of 5 g water [278 mmol] and 5 g of N-methylpyrrolidone was added to a solution of 49 g of 2,4-dichlorobenzyl chloride [252.5 mmol] and 18 mg of palladium chloride [0.1 mmol] in 105 g of N-methylpyrrolidone over 1 hour. The pressure was kept constant at 20 bar during the addition. After 16 hours, the mixture was further stirred to constant pressure. After cooling, N-methylpyrrolidone and hydrogen chloride were separated at 150°C and 200 mbar. The residue was added as a melt to water with parallel addition of 50% aqueous sodium hydroxide solution to maintain pH 10. A homogeneous solution was obtained and extracted with 20 ml xylene to remove organic soluble substances. The mixture was then acidified to pH 1 with approximately 30% aqueous hydrochloric acid solution, and 2,4-dichlorophenylacetic acid precipitated as a white solid. The precipitated product was washed with water until the effluent had a constant pH. The washed product was dried at 100°C under reduced pressure to give 2,4-dichlorophenylacetic acid. Yield: 89%. GC purity: 100%. Melting point: 131-133°C. | | Uses | 2,4-Dichlorophenylacetic Acid is a useful research chemical. | | Chemical Properties | white to pale yellowish-beige crystalline powder | | Uses | 2,4-Dichlorophenylacetic acid has been used as internal standard in:
- determination of phenoxyalkanoic acid herbicides in blood by GC with electron-capture detection
- determination of 2-methyl-4-chlorophenoxyacetic acid (herbicide) in soils by GC technique
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| | 2,4-Dichlorophenylacetic acid Preparation Products And Raw materials |
| Raw materials | Benzene, 2,4-dichloro-1-(2,2,2-trichloroethyl)--->2,4-Dichlorophenylacetonitrile-->carbon monoxide-->2,4-Dichlorobenzyl chloride-->Tetrabutylammonium iodide-->tert-Butanol-->Sodium hydroxide | | Preparation Products | 2,4-Dichlorobenzaldehyde-->2,4-Dichlorophenylacetonitrile-->Methyl 2,4-dichlorophenylacetate-->5-(2,4-Dichloro-benzyl)-[1,3,4]thiadiazol-2-ylamine-->Benzeneacetic acid, 2,4-dichloro-α-ethyl--->1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone |
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