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Dibenzylazodicarboxylat
DBAD · Dibenzyl diazene-1,2-dicarboxylate · DZAD · (E)-dibenzyl diazene-1,2-dicarboxylate · Dibenzyl azodicarbox · Minocycline Impurity 49 · Dibenzy| azodicarbo×ylate · DIBENZYL AZODICARBOXYLATE
Identifikatoren & physikalische Daten
| CAS No. | 2449-05-0 |
|---|---|
| Summenformel | C16H14N2O4 |
| Durchschnittliche Molmasse | 298,29 g/mol |
| Monoisotopische Masse | 298,09535693 g/mol |
| SMILES | O=C(N=NC(=O)OCc1ccccc1)OCc1ccccc1 |
| InChIKey | IRJKSAIGIYODAN-UHFFFAOYSA-N |
| PubChem CID | 75557 |
| ChEMBL | CHEMBL3182293 |
| EC No. | 219-508-0 |
| DTXSID | DTXSID3044887 |
| Lokaler Name | Dibenzylazodicarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 350 |
| Schmelzpunkt | 43-47 °C (lit.) |
| Siedepunkt | 439.72°C (rough estimate) |
| Dichte | 1.2028 (rough estimate) |
| Brechungsindex | 1.6240 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow to orange |
| BRN | 2298734 |
| InChI | InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | IRJKSAIGIYODAN-ISLYRVAYSA-N |
| SMILES | N(C(OCC1=CC=CC=C1)=O)=NC(OCC1=CC=CC=C1)=O |
| CAS Datenbank | 2449-05-0(CAS DataBase Reference) |
| EPA chemische Informationen | Diazenedicarboxylic acid, bis(phenylmethyl) ester (2449-05-0) |
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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 01-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21848 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3224 |
| Zollcode | 29270000 |
| R-Sätze (R) | 36/37/38-11 |
| Gefahrensymbole | Xi,F |
| Sicherheitshinweise (S) | 26-37/39-16 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Dibenzyl azodicarboxylate is a reagent used in the synthesis of Minocycline-d6 (M344797). Minocycline-d6 is a labeled second generation tetracycline antibiotic. Antibacterial.