HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 88733Erstellt: 27. Oktober 2026
Benzenamine, 4-(2-benzoxazolyl)-
4-(BENZO[D]OXAZOL-2-YL)ANILINE · 4-(1,3-BENZOXAZOL-2-YL)ANILINE · AKOS BB-8497 · ASISCHEM T30955 · CHEMBRDG-BB 4101678 · TIMTEC-BB SBB000494 · Compound 20934-81-0 · OTAVA-BB BB7216513381
https://huagongshe.com/de/chemical/88733
Identifikatoren & physikalische Daten
| CAS No. | 20934-81-0 |
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| Summenformel | C13H10N2O |
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| Durchschnittliche Molmasse | 210,23 g/mol |
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| Monoisotopische Masse | 210,07931294 g/mol |
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| SMILES | Nc1ccc(-c2nc3ccccc3o2)cc1 |
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| InChIKey | XZYQBYQGHHGXBC-UHFFFAOYSA-N |
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| PubChem CID | 88733 |
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| ChEMBL | CHEMBL112115 |
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| EC No. | 683-416-0 |
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| DTXSID | DTXSID5066665 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 52,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 238 |
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| Löslichkeit | 20.8 [ug/mL] (The mean of the results at pH 7.4)DMSO : ≥ 100 mg/mL (475.67 mM) |
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| Schmelzpunkt | 169-170 °C |
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| Siedepunkt | 361.4±25.0 °C(Predicted) |
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| Dichte | 1.257±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 3.29±0.10(Predicted) |
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| Farbe | Light brown to brown |
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| InChI | InChI=1S/C13H10N2O/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2 |
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| InChIKey | XZYQBYQGHHGXBC-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC=C(C2=NC3=CC=CC=C3O2)C=C1 |
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| EPA chemische Informationen | Benzenamine, 4-(2-benzoxazolyl)- (20934-81-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 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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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2934999090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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