HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-6-(trifluoromethyl)pyridine
4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE · 6-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE · 2-Amino-6-(trifL · 6-trifluromethylpyridin-2-amine · 6-trifluoromethyl-2-pyridinamine · 2-Amino-6-(trifloromethyl)pyridine · 6-TrifluoroMethyl-pyridin-2-ylaMine · 2-AMINO-6-(TRIFLUOROMETHYL)PYRIDINE
Identifikatoren & physikalische Daten
| CAS No. | 34486-24-3 |
|---|---|
| Summenformel | C6H5F3N2 |
| Durchschnittliche Molmasse | 162,11 g/mol |
| Monoisotopische Masse | 162,04048282 g/mol |
| SMILES | Nc1cccc(C(F)(F)F)n1 |
| InChIKey | NFYYDQMFURPHCC-UHFFFAOYSA-N |
| PubChem CID | 821024 |
| EC No. | 636-458-9 |
| DTXSID | DTXSID00356271 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 134 |
| Schmelzpunkt | 85-89 °C |
| Siedepunkt | 192.1±40.0 °C(Predicted) |
| Dichte | 1.368±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.13±0.24(Predicted) |
| Farbe | Light yellow to Brown to Dark green |
| BRN | 473259 |
| InChI | InChI=1S/C6H5F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3H,(H2,10,11) |
| InChIKey | NFYYDQMFURPHCC-UHFFFAOYSA-N |
| SMILES | C1(N)=NC(C(F)(F)F)=CC=C1 |
| CAS Datenbank | 34486-24-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (83.7%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (83.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 1 |
| Zollcode | 29333990 |
| R-Sätze (R) | 25-36/37/38-43-20/21/22 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Irritant/Toxic |
| Sicherheitshinweise (S) | 26-36/37-45-36 |
| Gefahrenklasse | 6.1Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Substrate used in a one-pot synthesis of the corresponding 7-aza-indole.