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Dimethyl-3,7,12,17-tetramethyl-21H,23H-porphin-2,18-dipropionat
min · Nsc17451 · Pyroporphyrin · PYROPORPHYRIN DIMETHYL ESTER · Deuteroporphyrin 1X dimethyl ester · DEUTEROPORPHYRIN IX DIMETHYL ESTER · DeuteroporphyrinIX,dimethylester,min.97% · DEUTEROPORPHYRIN IX DIMETHYL ESTER FROM&
Identifikatoren & physikalische Daten
| CAS No. | 10589-94-3 |
|---|---|
| Summenformel | C32H34N4O4 |
| Durchschnittliche Molmasse | 538,6 g/mol |
| Monoisotopische Masse | 538,25800558 g/mol |
| SMILES | COC(=O)CCC1=C(C)c2cc3cc(C)c(cc4cc(C)c(cc5nc(cc1n2)C(CCC(=O)OC)=C5C)[nH]4)[nH]3 |
| InChIKey | CEPCOHFDZYMQHP-UHFFFAOYSA-N |
| PubChem CID | 95097 |
| EC No. | 234-195-0 |
| Lokaler Name | Dimethyl-3,7,12,17-tetramethyl-21H,23H-porphin-2,18-dipropionat |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 110 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 40 |
| Formalladung | 0 |
| Komplexität | 887 |
| Schmelzpunkt | 217-220 °C(lit.) |
| Siedepunkt | 996.4±65.0 °C(Predicted) |
| Dichte | 1.226±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | ChloroformDichloromethaneDMSO |
| Aggregatzustand | crystal |
| Farbe | purple |
| InChIKey | JDWKDJYBNJTDOW-RWJCOFQGSA-N |
| SMILES | COC(=O)CCc1c(C)c2cc3[nH]c(cc3C)cc4nc(cc4C)cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C |
| EPA chemische Informationen | 21H,23H-Porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dimethyl ester (10589-94-3) |
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2931900090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of:Deuteroporphyrindimethylester Ru(II) complexesRh porphyrinsPorphyrin-linked nitroimidazole antibioticsPorphyrin-fullerene dyadsPorphyrin-platinum complexes