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2,4,6-Tris(2-pyridyl)-s-triazin
2,4,6-TRI(2-PYRIDYL)-1,3,5-TRIAZINE · 2,4,6-TRI(2-PYRIDYL)-S-TRIAZINE · TPTZ 2,4,6-Tripyridyl-S-triazine · 2,4,6-Tri(2-pyridinyl)-1,3,5-triazine · TPTZ · DK7649 · TPTZ【Dotite】 · JACS-3682-35-7
Identifikatoren & physikalische Daten
| CAS No. | 3682-35-7 |
|---|---|
| Summenformel | C18H12N6 |
| Durchschnittliche Molmasse | 312,3 g/mol |
| Monoisotopische Masse | 312,11234438 g/mol |
| SMILES | c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1 |
| InChIKey | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| PubChem CID | 77258 |
| ChEMBL | CHEMBL1450775 |
| EC No. | 222-965-9 |
| DTXSID | DTXSID7063132 |
| Lokaler Name | 2,4,6-Tris(2-pyridyl)-s-triazin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 323 |
| Stoffklassen | Nitrogen Compounds -> Triazines |
| Physical Description | Solid[Merck Index] Light yellow powder with lumps[Aldrich MSDS] |
| Schmelzpunkt | 247-249 °C(lit.) |
| Siedepunkt | 442.26°C (rough estimate) |
| Dichte | 1.276 |
| Brechungsindex | 1.4570 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | methanol: 100 mg/mL, clear |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 1.14±0.19(Predicted) |
| Farbe | Yellow |
| Geruch | Odorless |
| Merck | 14,9750 |
| BRN | 282581 |
| InChI | InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H |
| InChIKey | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| SMILES | N1=C(C2=NC=CC=C2)N=C(C2=NC=CC=C2)N=C1C1=NC=CC=C1 |
| EPA chemische Informationen | 1,3,5-Triazine, 2,4,6-tri-2-pyridinyl- (3682-35-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantMay be fatal by ingestion[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29336990 |
| RTECS-Nr. | XZ2050000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | bird - wild,LD50,oral,5620ug/kg (5.62mg/kg),Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4,6-Tri(pyridin-2-yl)-1,3,5-triazine is a colorimetric reagent for the detection and measurement of iron concentration. It is employed along with ferrous ion to form a complex that allows for spectrophotometric determination of acetaminophen in samples of serum and plasma.