HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chloro-6-(trifluoromethyl)pyridazine
3-Chloro-6-(trifluoromethyl)pyridazine · Compound T9175 · 3-Chloro-6-(trifluoromethyl)-1,2-diazine · Pyridazine, 3-chloro-6-(trifluoroMethyl)- · 3-Chloro-6-trifluoromethyl-pyridazine ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 258506-68-2 |
|---|---|
| Summenformel | C5H2ClF3N2 |
| Durchschnittliche Molmasse | 182,53 g/mol |
| Monoisotopische Masse | 181,9858604 g/mol |
| SMILES | FC(F)(F)c1ccc(Cl)nn1 |
| InChIKey | AZNKQIFEMQHORS-UHFFFAOYSA-N |
| PubChem CID | 28242526 |
| EC No. | 674-925-9 |
| DTXSID | DTXSID50651187 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 55-59°C |
| Siedepunkt | 233.3±35.0 °C(Predicted) |
| Dichte | 1.504 |
| Flammpunkt | 95℃ |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | -1.53±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | Light yellow |
| InChI | InChI=1S/C5H2ClF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H |
| InChIKey | AZNKQIFEMQHORS-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NN=C(C(F)(F)F)C=C1 |
| CAS Datenbank | 258506-68-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (92.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29339900 |
| R-Sätze (R) | 25-36/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-45-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Chloro-6-(trifluoromethyl)pyridazine is a general reagent for use in the repositioning of antitubercular oxazoles for certain neglected tropical diseases.