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HCID 223261Erstellt: 26. Oktober 2026
2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
2-CHLORO-4,6-DIMETHYLNICOTINONITRILE · EOS-60842 · AKOS BC-3128 · BUTTPARK 59\40-61 · AKOS BBS-00002510 · IFLAB-BB F1371-0162 · Opicapone Impurity 20 · 6-diMethylnicotinonitrile
https://huagongshe.com/de/chemical/223261
Identifikatoren & physikalische Daten
| CAS No. | 14237-71-9 |
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| Summenformel | C8H7ClN2 |
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| Durchschnittliche Molmasse | 166,61 g/mol |
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| Monoisotopische Masse | 166,0297759 g/mol |
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| SMILES | Cc1cc(C)c(C#N)c(Cl)n1 |
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| InChIKey | RETJKTAVEQPNMH-UHFFFAOYSA-N |
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| PubChem CID | 223261 |
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| ChEMBL | CHEMBL1519270 |
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| EC No. | 625-186-6 |
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| DTXSID | DTXSID50278939 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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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 | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 184 |
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| Schmelzpunkt | 98-99°C |
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| Siedepunkt | 305.3±37.0 °C(Predicted) |
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| Dichte | 1.22±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | -0.41±0.10(Predicted) |
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| Farbe | White to Almost white |
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| BRN | 131348 |
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| InChI | InChI=1S/C8H7ClN2/c1-5-3-6(2)11-8(9)7(5)4-10/h3H,1-2H3 |
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| InChIKey | RETJKTAVEQPNMH-UHFFFAOYSA-N |
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| SMILES | C1(Cl)=NC(C)=CC(C)=C1C#N |
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| CAS Datenbank | 14237-71-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (87%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 46 reports by companies from 6 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. 3 (87%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 29333990 |
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| R-Sätze (R) | 36/37/38-41-37/38-25 |
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| Gefahrensymbole | Xi,T |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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