HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6,7-Dimethoxyphthalid
Opianyl · Meconine · NSC 35547 · Meconic lactone · 6,7-dimethoxyphthalide · Meconin, 10 mM in DMSO · Noscapine Impurity 4(Meconine) · Meconin (1.0 mg/mL in Chloroform)
Identifikatoren & physikalische Daten
| CAS No. | 569-31-3 |
|---|---|
| Summenformel | C10H10O4 |
| Durchschnittliche Molmasse | 194,18 g/mol |
| Monoisotopische Masse | 194,0579088 g/mol |
| SMILES | COc1ccc2c(c1OC)C(=O)OC2 |
| InChIKey | ORFFGRQMMWVHIB-UHFFFAOYSA-N |
| PubChem CID | 68437 |
| ChEMBL | CHEMBL1333869 |
| ChEBI | CHEBI:173937 |
| EC No. | 209-311-8 |
| DTXSID | DTXSID60205433 |
| Lokaler Name | 6,7-Dimethoxyphthalid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 228 |
| Löslichkeit | 2.5 mg/mL at 25 °CDMF: 30 mg/mlDMSO: 30 mg/mlDMSO:PBS(pH7.2) (1:1): 0.5 mg/mlEthanol: 10 mg/ml2.5g/L(25 ºC) |
| Schmelzpunkt | 102.5 °C103℃ |
| Physical Description | Solid |
| Kovats Retention Index | 176817691765 |
| Siedepunkt | 290.62°C (rough estimate) |
| Dichte | 1.2534 (rough estimate) |
| Brechungsindex | 1.5430 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | A crystalline solid |
| Farbe | White to off-white |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)Eye Irrit. 2 (100%) |
| Zollcode | 2932990090 |
Anwendungen & Verwendung
Verwenden
A lactone of meconinic acid, extracted from opium. Meconin is a marker for illicit opiate use.