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| | 4-(Trifluoromethoxy)benzoic acid Basic information |
| | 4-(Trifluoromethoxy)benzoic acid Chemical Properties |
| Melting point | 150-154 °C(lit.) | | Boiling point | 203°C (rough estimate) | | density | 1.4251 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform, Methanol | | pka | 3.85±0.10(Predicted) | | form | Powder | | color | White to cream | | BRN | 977356 | | InChI | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) | | InChIKey | RATSANVPHHXDCT-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(OC(F)(F)F)C=C1 | | CAS DataBase Reference | 330-12-1(CAS DataBase Reference) | | NIST Chemistry Reference | 4-(Trifluoromethoxy)benzoic acid(330-12-1) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29189900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-(Trifluoromethoxy)benzoic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses | 4-(Trifluoromethoxy)benzoic Acid is a substituted benzoic acid used in the preparation of a various biologically active compounds such as antifungal and antimalarial agents. | | General Description | Kinetics of internal acyl migration and hydrolysis of the synthetic β-1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids in phosphate buffer was studied. | | Synthesis | Synthesis of 4-(trifluoromethoxy)benzoic acid: 4-(trifluoromethoxy)benzonitrile (4 g, 21.4 mmol) was dissolved in acetic acid (12 mL), and water (12 mL) and concentrated sulfuric acid (12 mL) were added sequentially. The reaction mixture was stirred and reacted at 120 °C overnight. Upon completion of the reaction, water (100 mL) was added to the mixture and the aqueous phase was extracted with ethyl acetate (3 x 100 mL). The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give the title compound 4-(trifluoromethoxy)benzoic acid (4.8 g, 98% yield) as a white solid. | | References | [1] Patent: US2007/270434, 2007, A1. Location in patent: Page/Page column 16-17 |
| | 4-(Trifluoromethoxy)benzoic acid Preparation Products And Raw materials |
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