HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 696365Erstellt: 27. Oktober 2026
5-Bromonicotinohydrazide
ST5160314 · SMR000427797 · MLS001049163 · ZINC00071428 · Maybridge1_006123 · BUTTPARK 98\04-61 · AKOS BBS-00000359 · 5-BROMONICOTINOHYDRAZIDE
https://huagongshe.com/de/chemical/696365
Identifikatoren & physikalische Daten
| CAS No. | 112193-41-6 |
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| Summenformel | C6H6BrN3O |
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| Durchschnittliche Molmasse | 216,04 g/mol |
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| Monoisotopische Masse | 214,96942391 g/mol |
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| SMILES | NNC(=O)c1cncc(Br)c1 |
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| InChIKey | VERXTAUONOFMLH-UHFFFAOYSA-N |
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| PubChem CID | 696365 |
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| ChEMBL | CHEMBL1534244 |
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| EC No. | 814-367-7 |
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| DTXSID | DTXSID10351297 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 68 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Löslichkeit | 32.3 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 204-205 |
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| Dichte | 1.709±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | crystalline powder |
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| pKa (Säurekonstante) | 10+-.0.10(Predicted) |
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| Farbe | Off-white |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 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 (50%) |
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| Zollcode | 2933299090 |
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| Gefahrensymbole | Xi |
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| hazard_note | Harmful |
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| Gefahrenklasse | IRRITANT |
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