HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-p-aminosalicylat
METHYL 4-AMINO-2-HYDROXYBENZOATE · 4-AMINOSALICYLATE · pasmethylester · THYL 4-AMINOSALICYLATE · methylp-aminosalicylate · Methdilazine Impurity 1 · METHYL 4-AMINOSALICYLATE · P-AMINO METHYL SALICYLATE
Identifikatoren & physikalische Daten
| CAS No. | 4136-97-4 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | COC(=O)c1ccc(N)cc1O |
| InChIKey | QQOXBFUTRLDXDP-UHFFFAOYSA-N |
| PubChem CID | 77787 |
| ChEMBL | CHEMBL1458862 |
| ChEBI | CHEBI:35089 |
| EC No. | 223-958-3 |
| DTXSID | DTXSID80194310 |
| Lokaler Name | Methyl-p-aminosalicylat |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 120-123°C |
| Siedepunkt | 120 °C |
| Dichte | 1.305±0.06 g/cm3 (20 ºC 760 Torr) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| pKa (Säurekonstante) | 9.81±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to Pale Beige |
| CAS Datenbank | 4136-97-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34280 |
| Hazard Classes and Categories | Acute Tox. 4 (90%) |
| Zollcode | 2922500090 |
| RTECS-Nr. | VO1683000 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Methyl 4-aminosalicylate is used as pharmaceutical intermediate.