HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 237481Erstellt: 4. November 2026
2'-Nitrophthalanilic acid
2'-Nitrophthalanilic acid · Benzoic acid, 2-[[(2-nitrophenyl)amino]carbonyl]-
https://huagongshe.com/de/chemical/237481
Identifikatoren & physikalische Daten
| CAS No. | 6307-12-6 |
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| Summenformel | C14H10N2O5 |
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| Durchschnittliche Molmasse | 286,24 g/mol |
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| Monoisotopische Masse | 286,05897142 g/mol |
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| SMILES | O=C(O)c1ccccc1C(=O)Nc1ccccc1[N+](=O)[O-] |
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| InChIKey | ZBUFPOWZVYVWNV-UHFFFAOYSA-N |
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| PubChem CID | 237481 |
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| ChEMBL | CHEMBL1460601 |
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| EC No. | 669-089-7 |
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| DTXSID | DTXSID40285213 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 112 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 420 |
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| Schmelzpunkt | 192 °C |
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| Siedepunkt | 425.5±30.0 °C(Predicted) |
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| Dichte | 1.485±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.41±0.36(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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