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HCID 642864Erstellt: 27. Oktober 2026
2-(6-Bromopyridin-2-yl)acetonitrile
2-(6-Bromopyridin-2-yl) · 2-Bromo-6-(cyanomethyl)pyridine · 2-Pyridineacetonitrile, 6-bromo- · 2-(6-Bromo-2-pyridyl)acetonitrile · 2-(6-bromo-2-pyridinyl)acetonitrile · (6-Bromo-pyridin-2-yl)-acetonitrile · 2-(6-Bromopyridin-2-yl)acetonitrile - [B81407] · (6-BROMO-PYRIDIN-2-YL)-ACETONITRILE ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/642864
Identifikatoren & physikalische Daten
| CAS No. | 112575-11-8 |
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| Summenformel | C7H5BrN2 |
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| Durchschnittliche Molmasse | 197,03 g/mol |
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| Monoisotopische Masse | 195,96361026 g/mol |
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| SMILES | N#CCc1cccc(Br)n1 |
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| InChIKey | WUYNZPVTHRDYDT-UHFFFAOYSA-N |
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| PubChem CID | 642864 |
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| EC No. | 851-644-1 |
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| DTXSID | DTXSID20349089 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 36,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 149 |
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| Schmelzpunkt | 43 °C(Solv: hexane (110-54-3)) |
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| Siedepunkt | 305.7±27.0 °C(Predicted) |
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| Dichte | 1.575±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | -1.27±0.12(Predicted) |
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| InChI | InChI=1S/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2 |
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| InChIKey | WUYNZPVTHRDYDT-UHFFFAOYSA-N |
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| SMILES | C1(CC#N)=NC(Br)=CC=C1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Zollcode | 2933399990 |
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