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2-[[(3-Methylphenyl)amino]carbonyl]benzoesure
N-M-T · TOMASET · DURASET · DURASET(R) · duraset20w · Phthalamate · Duraset 20W · Duraset (TM)
![Molekülstruktur von 2-[[(3-Methylphenyl)amino]carbonyl]benzoesure](/img/chemical/6821.png)
Identifikatoren & physikalische Daten
| CAS No. | 85-72-3 |
|---|---|
| Summenformel | C15H13NO3 |
| Durchschnittliche Molmasse | 255,27 g/mol |
| Monoisotopische Masse | 255,08954328 g/mol |
| SMILES | Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1 |
| InChIKey | AZPJXONNBLOZFE-UHFFFAOYSA-N |
| PubChem CID | 6821 |
| ChEMBL | CHEMBL1588580 |
| EC No. | 201-626-9 |
| DTXSID | DTXSID0041486 |
| Lokaler Name | 2-[[(3-Methylphenyl)amino]carbonyl]benzoesure |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 342 |
| Schmelzpunkt | 150 °C |
| Siedepunkt | 371.0±35.0 °C(Predicted) |
| Dichte | 1.295±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.46±0.36(Predicted) |
| Farbe | White to Pale Red |
| CAS Datenbank | 85-72-3 |
| EPA chemische Informationen | 3'-Methylphthalanilic acid (85-72-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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 | Eye Irrit. 2 (100%) |
| UN-Transportnummer | UN3077 |
| R-Sätze (R) | 36-50 |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 26-61 |
| Gefahrenklasse | 9 |
Anwendungen & Verwendung
Verwenden
N-M-Tolylphthalamic Acid is used to prevent premature drop an anti shock treatment for pants. On ingestion is hydrolyzed to produce m-toluidine