HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 281995Erstellt: 26. Oktober 2026
6-Methylpyridine-3-carbonitrile
6-METHYLNICOTINONITRILE · 3-CYANO-6-METHYLPYRIDINE · 5-Cyan · 5-CYANO-2-PICOLINE · 6-Methylnicotinitrile · 5-CYANO-2-METHYLPYRIDINE · 2-Methyl-5-cyanopyridine · 5-Cyano-2-methylpyridine >5-CYANO-2-METHYLPYRIDINE 99%
https://huagongshe.com/de/chemical/281995
Identifikatoren & physikalische Daten
| CAS No. | 3222-48-8 |
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| Summenformel | C7H6N2 |
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| Durchschnittliche Molmasse | 118,14 g/mol |
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| Monoisotopische Masse | 118,05309819 g/mol |
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| SMILES | Cc1ccc(C#N)cn1 |
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| InChIKey | PBLOYQAQGYUPCM-UHFFFAOYSA-N |
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| PubChem CID | 281995 |
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| EC No. | 677-851-5 |
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| DTXSID | DTXSID60300134 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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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 | 9 |
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| Formalladung | 0 |
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| Komplexität | 133 |
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| Schmelzpunkt | 83-85°C |
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| Siedepunkt | 216-217°C |
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| Dichte | 1.08±0.1 g/cm3(Predicted) |
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| Flammpunkt | 216-217°C |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 2.51±0.10(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow |
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| BRN | 111235 |
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| InChI | 1S/C7H6N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,1H3 |
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| InChIKey | PBLOYQAQGYUPCM-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(cn1)C#N |
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| CAS Datenbank | 3222-48-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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 (88.9%) |
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| Wassergefährdungsklasse (WGK) | 1 |
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| UN-Transportnummer | 3439 |
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| Zollcode | 2933399990 |
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| R-Sätze (R) | 22-41-25 |
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| Gefahrensymbole | T+,T |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-36/37/39-45-39 |
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| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1 |
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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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