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Salicylanilid
2-HYDROXY-N-PHENYLBENZAMIDE · Bpc-15 · Bpc15 · C26H22N2O4 · ASK · SA88 · CHIF · Hsk1
Identifikatoren & physikalische Daten
| CAS No. | 87-17-2 |
|---|---|
| Summenformel | C13H11NO2 |
| Durchschnittliche Molmasse | 213,23 g/mol |
| Monoisotopische Masse | 213,07897859 g/mol |
| SMILES | O=C(Nc1ccccc1)c1ccccc1O |
| InChIKey | WKEDVNSFRWHDNR-UHFFFAOYSA-N |
| PubChem CID | 6872 |
| ChEMBL | CHEMBL82970 |
| ChEBI | CHEBI:239133 |
| EC No. | 201-727-8 |
| DTXSID | DTXSID7021784 |
| Lokaler Name | Salicylanilid |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 236 |
| SpringerMaterials Properties | Chemical shift |
| Pestizide | Pesticides -> Fungicides |
| LogP (Verteilungskoeffizient) | 3.25 |
| Dampfdruck | 0.00000002 [mmHg] |
| Physical Description | Odorless solid[Merck Index] Light tan powder[Alfa Aesar MSDS] |
| Collision Cross Section | 145.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7021784]139.16 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]143.9 Ų [M+H]+ [CCS Type: TW |
| Schmelzpunkt | 136-138 °C (lit.) |
| Siedepunkt | 353.22°C (rough estimate) |
| Dichte | 1.1544 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | H2O: slightly soluble |
| Aggregatzustand | buffered aqueous glycerol solution |
| pKa (Säurekonstante) | 7.11±0.10(Predicted) |
| Farbe | White to Almost white |
| pH | 7-7.5 (50g/l, H2O, 25℃) |
| Biologische Quelle | goat |
| Merck | 14,8330 |
| BRN | 1108135 |
| InChI | 1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16) |
| InChIKey | WKEDVNSFRWHDNR-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1C(=O)Nc2ccccc2 |
| CAS Datenbank | 87-17-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzamide, 2-hydroxy-N-phenyl-(87-17-2) |
| EPA chemische Informationen | Salicylanilide (87-17-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.8% (10 of 560) of reports.WarningH315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 560 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzamide, 2-hydroxy-N-phenyl-Salicylanilide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (98.2%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29242995 |
| RTECS-Nr. | VN7850000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | 9Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
| Selbstentzündungstemperatur | >300 °C |
Anwendungen & Verwendung
Verwenden
Salicylanilides are compounds of varying biological activity ranging from anti-inflammatory agents to antiviral and antimicrobial agents.