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| | 2-Chloro-6-trifluoromethylnicotinic acid Basic information |
| | 2-Chloro-6-trifluoromethylnicotinic acid Chemical Properties |
| Melting point | 120 °C | | Boiling point | 271.3±40.0 °C(Predicted) | | density | 1.603±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | powder to crystal | | pka | 1.42±0.28(Predicted) | | color | White to Light yellow | | InChI | InChI=1S/C7H3ClF3NO2/c8-5-3(6(13)14)1-2-4(12-5)7(9,10)11/h1-2H,(H,13,14) | | InChIKey | DXRBTBMFFGEVCX-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC(C(F)(F)F)=CC=C1C(O)=O | | CAS DataBase Reference | 280566-45-2(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36/37/39 | | RIDADR | UN 2811 6.1 / PGIII | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 2933399990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-Chloro-6-trifluoromethylnicotinic acid Usage And Synthesis |
| Chemical Properties | White to Light yellow powder to crystal | | Uses | 2-Chloro-6-trifluoromethylnicotinic acid is used as an intermediate in organic synthesis. | | Synthesis | Lithium diisopropylammonium (LDA) (44.2 g, 1.5 eq.) was added slowly and dropwise to a stirred tetrahydrofuran (1.0 L) solution of 2-chloro-6-(trifluoromethyl)pyridine (50.0 g, 1.0 eq.) at -78 °C. The reaction temperature was maintained at -78°C and after 2 hours of reaction, carbon dioxide (500 g) was passed into the reaction mixture. The reaction mixture was gradually warmed to room temperature and stirring was continued for 10 minutes. The reaction progress was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was acidified to pH 2 with 1N hydrochloric acid and then extracted with ethyl acetate (2 x 500 mL). The organic layers were combined, washed sequentially with water (500 mL) and brine (500 mL), dried with anhydrous sodium sulfate, and concentrated under reduced pressure to obtain the crude product. The crude product was co-milled with petroleum ether to obtain pure 2-chloro-6-(trifluoromethyl)nicotinic acid (Int-15) (40.0 g, yield 64.6%). | | References | [1] European Journal of Organic Chemistry, 2004, # 18, p. 3793 - 3798
[2] Patent: WO2013/64460, 2013, A1. Location in patent: Page/Page column 125; 126 |
| | 2-Chloro-6-trifluoromethylnicotinic acid Preparation Products And Raw materials |
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