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| | 2-Chloro-4-(trifluoromethyl)pyrimidine Basic information |
| | 2-Chloro-4-(trifluoromethyl)pyrimidine Chemical Properties |
| Boiling point | 60 °C10 mm Hg(lit.) | | density | 1.513 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.447(lit.) | | Fp | 120 °F | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | solubility | DMSO (Slightly), Methanol (Very Slightly) | | pka | -3.98±0.20(Predicted) | | form | Liquid | | color | Clear colorless to light yellow | | Specific Gravity | 1.5130 | | InChI | 1S/C5H2ClF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H | | InChIKey | FZRBTBCCMVNZBD-UHFFFAOYSA-N | | SMILES | FC(F)(F)c1ccnc(Cl)n1 | | CAS DataBase Reference | 33034-67-2(CAS DataBase Reference) |
| Hazard Codes | Xi,F | | Risk Statements | 10-36/37/38 | | Safety Statements | 16-26-36-37/39 | | RIDADR | UN 1993 3/PG 3 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29335990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| | 2-Chloro-4-(trifluoromethyl)pyrimidine Usage And Synthesis |
| Chemical Properties | Colourless Liquid | | Uses | 2-Chloro-4-(trifluoromethyl)pyrimidine may be used to investigate the effect of chemical substitutions on the interfacial interactions of pyrimidines with the phospholipid-mimic immobilized-artificial-membrane (IAM) chromatographic stationary phase. Monocyclic pyrimidine nucleic acid bases (nucleobases) were reported to behave differently from their bicyclic purine analogs. | | General Description | 2-Chloro-4-(trifluoromethyl)pyrimidine is a pyrimidine derivative. Its density and refractive index have been determined. | | Synthesis | First, ethyl trifluoroacetoacetate and urea are refluxed for 4 hours in an ethanol-hydrochloric acid system, and the mixture is cooled to precipitate 2-hydroxy-4-(trifluoromethyl)pyrimidine (intermediate, with a purity of about 95%). Then the intermediate is mixed with phosphorus oxychloride (POCl₃) with 1 drop of DMF as a catalyst, and the reaction is carried out at 80-120 °C for 2-6 hours. After recovering the excess POCl₃, the reaction solution is quenched by pouring into ice water, followed by extraction with ethyl acetate, drying and vacuum distillation (collecting the fraction at 60 °C/10 mmHg) to obtain 2-chloro-4-(trifluoromethyl)pyrimidine, with an overall yield of about 70%. |
| | 2-Chloro-4-(trifluoromethyl)pyrimidine Preparation Products And Raw materials |
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