2,4,6-Trifluor-1,3,5-triazin
2,4,6-TRIFLUORO-1,3,5-TRIAZINE · Trifluorotriazine · Cyanuric Flouride · NSC 168386 · CYANURIC FLUORIDE · Cyanuricfluoride,98% · Cyanuric trifluoride · Trifluoro-s-triazine
Identifikatoren & physikalische Daten
| CAS No. | 675-14-9 |
|---|---|
| Summenformel | C3F3N3 |
| Durchschnittliche Molmasse | 135,05 g/mol |
| Monoisotopische Masse | 135,00443166 g/mol |
| SMILES | Fc1nc(F)nc(F)n1 |
| InChIKey | VMKJWLXVLHBJNK-UHFFFAOYSA-N |
| PubChem CID | 12664 |
| EC No. | 211-620-8 |
| DTXSID | DTXSID6060975 |
| Lokaler Name | 2,4,6-Trifluor-1,3,5-triazin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 69,3 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Dichte | 1.60 at 25 °C/4 °C1.60 @25 °C1,6 g/cm3 |
| Color/Form | Colorless |
| Siedepunkt | 72.8 °C72.4 °C @760 [mm Hg]73-74°C |
| Schmelzpunkt | -38 °C-38°C |
| Brechungsindex | Index of refraction: 1.3844 at 24 °C/D1.348 |
| Physical Description | Cyanuric fluoride is a liquid. (EPA, 1998)Colorless liquid[HSDB] |
| Flammpunkt | 73-74°C |
| Lagerbedingungen | Hygroscopic, Refrigerator, under inert atmosphere |
| Löslichkeit | Miscible with chloroform, carbon tetrachloride,ether, dioxane and ketones. |
| pKa (Säurekonstante) | -2.62±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| BRN | 124237 |
| CAS Datenbank | 675-14-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3,5-Triazine, 2,4,6-trifluoro-(675-14-9) |
| EPA chemische Informationen | Cyanuric fluoride (675-14-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH310+H330 (16.7%): Fatal in contact with skin or if inhaled [Danger Acute toxicity, dermalacute toxicity, inhalation]P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison Inhalation Hazard Corrosive |
| Brandgefahren | When heated to decomposition, it emits very toxic fumes of fluorides and nitrogen oxides. Avoid decomposing heat. (EPA, 1998) |
| Gesundheitsgefahren | This material is highly toxic by skin contact and inhalation. (EPA, 1998) |
| Gefahrenübersicht | Cyanuric fluoride is irritating to the skin, eyes, and respiratory tract. Information is limited, but it is not known to cause cyanide poisoning. It is absorbed through the skin. When heated to decomposition, fumes of fluorides and oxides of nitrogen are formed. [HSDB] In high-dose inhalation studies, animals develop pulmonary edema. [ChemIDplus] |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | Cyanuric fluoride is used as a mild fluorinating agent for organic chemicals, and it reacts with water in a manner similar to an acyl halide, forming hydrofluoric acid and cyanuric acid. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Highly Hazardous Substance | Chemical: Cyanuric Fluoride |
Anwendungen & Verwendung
Verwenden
Cyanuric fluoride acts as a fluorinating agent used in the conversion of carboxylic acids into acyl fluorides. It is used as a precursor for fibre-reactive dyes. It is a specific reagent for tyrosine residues in enzyme. Further, it is involved in the preparation of cyanuric acid by hydrolysis
Herstellung & Synthese
synthetische
In a dry three-necked flask equipped with stirrer, thermometer and reflux condenser, add 0.2mol (36.9g) of cyanuric chloride, 0.63mol (36.5g) of finely ground anhydrous potassium fluoride, 60mL of xylene and 2.0g of polyethylene glycol-600, heat and stir at 110℃, reflux for 16h and distill after a little cooling, collect the fraction at 72℃~75℃, and get liquid of cyanuric trioxide.