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| | 3-Fluoro-5-(trifluoromethyl)benzoic acid Basic information | | Uses |
| Product Name: | 3-Fluoro-5-(trifluoromethyl)benzoic acid | | Synonyms: | RARECHEM AL BO 0634;BUTTPARK 32\01-71;ALPHA,ALPHA,ALPHA,5-TETRAFLUORO-M-TOLUIC ACID;3-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID;à,à,à,5-tetrafluoro-m-toluic acid;3-Fluoro-5-(trifluoromethyl)benzoic acid 98%;3-Fluoro-5-(trifluoromethyl)benzoicacid98%;3-Carboxy-5-fluorobenzotrifluoride, alpha,alpha,alpha,5-Tetrafluoro-m-toluic acid | | CAS: | 161622-05-5 | | MF: | C8H4F4O2 | | MW: | 208.11 | | EINECS: | | | Product Categories: | Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks;Trifluoromethyl;Fluorine series;C8;Carbonyl Compounds;Carboxylic Acids | | Mol File: | 161622-05-5.mol |  |
| | 3-Fluoro-5-(trifluoromethyl)benzoic acid Chemical Properties |
| Melting point | 104 °C | | Boiling point | 239.6±40.0 °C(Predicted) | | density | 1.489±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 3.43±0.10(Predicted) | | color | White to Light yellow to Light orange | | InChI | InChI=1S/C8H4F4O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14) | | InChIKey | NSGKIIGVPBTOBF-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC(C(F)(F)F)=CC(F)=C1 | | CAS DataBase Reference | 161622-05-5(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
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ALFA
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| | 3-Fluoro-5-(trifluoromethyl)benzoic acid Usage And Synthesis |
| Uses | 3-Fluoro-5-(trifluoromethyl)benzoic acid is an organic intermediate that can be used to prepare αvβ6 integrin inhibitors and phosphodiesterase inhibitors. | | Chemical Properties | White powder | | Synthesis |
Preparation of 3-fluoro-5-(trifluoromethyl)benzoic acid : In 100 ml four necked round bottom flask equipped with mechanical stirrer, thermometer, reflux condenser and an addition funnel, sodium hydroxide (6.35 g) and water (10 ml) was added and stirred for 15 mins at 25-35°C. To this, 3-fluoro-5- (trifluoromethyl)benzonitrile (10 g) was added and heated to 85-90°C. The reaction mass was stirred at 85-90°C for 2 hrs. After completion of reaction, the reaction mass was allowed to cool to 25-35°C. Then, the reaction mass was acidified with aqueous hydrochloric acid and stirred for 30 mins at 25-35°C. The solid formed was filtered, washed with water, suck dried and then dried under vacuum at 50-55°C for 6 hrs to get the title compound. Yield: 8 g.
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| | 3-Fluoro-5-(trifluoromethyl)benzoic acid Preparation Products And Raw materials |
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