HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 13478Erstellt: 27. Oktober 2026
2,4,6-Triethyl 1,3,5-triazine-2,4,6-tricarboxylate
Triethyl 1 3 5-triazine-2 4 6-tricarbox& · Triethyl 1,3,5-triazine-2,4,6-tricarboxylate 97% · s-triazine-2,4,6-tricarboxylic acid triethyl ester · 1,3,5-Triazine-2,4,6-tricarboxylic acid, 2,4,6-triethyl ester
https://huagongshe.com/de/chemical/13478
Identifikatoren & physikalische Daten
| CAS No. | 898-22-6 |
|---|
| Summenformel | C12H15N3O6 |
|---|
| Durchschnittliche Molmasse | 297,26 g/mol |
|---|
| Monoisotopische Masse | 297,0960852 g/mol |
|---|
| SMILES | CCOC(=O)c1nc(C(=O)OCC)nc(C(=O)OCC)n1 |
|---|
| InChIKey | LKNPNZKIOSOWES-UHFFFAOYSA-N |
|---|
| PubChem CID | 13478 |
|---|
| ChEMBL | CHEMBL4991680 |
|---|
| EC No. | 844-841-9 |
|---|
| DTXSID | DTXSID30274530 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|
| Polarare Oberfläche (TPSA) | 118 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 9 |
|---|
| Frei drehbare Bindungen | 9 |
|---|
| Schwere Atome | 21 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 320 |
|---|
| SpringerMaterials Properties | Boiling point |
|---|
| Schmelzpunkt | 170-174 °C(lit.) |
|---|
| Siedepunkt | 451.1±28.0 °C(Predicted) |
|---|
| Dichte | 1.279±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Store at room temperature |
|---|
| pKa (Säurekonstante) | -3.35±0.10(Predicted) |
|---|
| InChI | InChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3 |
|---|
| InChIKey | LKNPNZKIOSOWES-UHFFFAOYSA-N |
|---|
| SMILES | N1=C(C(OCC)=O)N=C(C(OCC)=O)N=C1C(OCC)=O |
|---|
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Sicherheitshinweise (S) | 22-24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
