HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 20707Erstellt: 27. Oktober 2026
2-Benzoxazolamin
BENZO[D]OXAZOL-2-AMINE · 2-AMINOBENZOXAZOLE · Pramipexole impurity · BI-II786BS · 1,3-BENZOXAZOL-2-AMINE · Compound PDK0225 · 2-Benzoxazolamine · 2-amino-benzoxazol
https://huagongshe.com/de/chemical/20707
Identifikatoren & physikalische Daten
| CAS No. | 4570-41-6 |
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| Summenformel | C7H6N2O |
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| Durchschnittliche Molmasse | 134,14 g/mol |
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| Monoisotopische Masse | 134,04801281 g/mol |
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| SMILES | Nc1nc2ccccc2o1 |
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| InChIKey | JPBLHOJFMBOCAF-UHFFFAOYSA-N |
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| PubChem CID | 20707 |
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| EC No. | 224-952-3 |
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| DTXSID | DTXSID90196603 |
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| Lokaler Name | 2-Benzoxazolamin |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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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 | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 129 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 2.01 |
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| Schmelzpunkt | 128-133℃ |
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| Siedepunkt | 247.23°C (rough estimate) |
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| Dichte | 1.2296 (rough estimate) |
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| Brechungsindex | 1.5880 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 2.75±0.10(Predicted) |
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| Farbe | Off-White to Light Brown |
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| BRN | 115981 |
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| InChI | InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9) |
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| InChIKey | JPBLHOJFMBOCAF-UHFFFAOYSA-N |
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| SMILES | O1C2=CC=CC=C2N=C1N |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 7 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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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29349990 |
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| RTECS-Nr. | DM4500000 |
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| R-Sätze (R) | 22-36/37/38-52 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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