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HCID 4049415Erstellt: 27. Oktober 2026
(3,5-Dimethyl-4-nitropyridin-2-yl)methanol
(3,5-Dimethyl-4-nitropyridin-2-yl)methanol · Esomeprazole Impurity 63 · 3,5-Dimethyl-4-nitro pyridin-2-methanol · 3,5-DIMETHYL-4-NITROPYRIDINE-2-METHANOL · 3,5-DiMethyl-4-nitro-2-pyridineMethanol · 3,5-(DIMETHYL-4-NITRO-2-PYRIDYL)METHANOL · (3,5-DIMETHYL-4-NITRO-2-PYRIDYL)METHAN-& · (3,5-dimethyl-4-nitro-2-pyridyl)-1-metha
https://huagongshe.com/de/chemical/4049415
Identifikatoren & physikalische Daten
| CAS No. | 149082-03-1 |
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| Summenformel | C8H10N2O3 |
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| Durchschnittliche Molmasse | 182,18 g/mol |
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| Monoisotopische Masse | 182,06914218 g/mol |
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| SMILES | Cc1cnc(CO)c(C)c1[N+](=O)[O-] |
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| InChIKey | KBCDOXSSYLFMHH-UHFFFAOYSA-N |
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| PubChem CID | 4049415 |
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| ChEMBL | CHEMBL4444883 |
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| EC No. | 604-675-8 |
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| DTXSID | DTXSID20398774 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
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| Polarare Oberfläche (TPSA) | 78,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 192 |
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| Schmelzpunkt | 66-70 °C (lit.) |
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| Siedepunkt | 349.7±37.0 °C(Predicted) |
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| Dichte | 1.293±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 12.97±0.10(Predicted) |
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| Farbe | White to Gray to Brown |
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| InChI | 1S/C8H10N2O3/c1-5-3-9-7(4-11)6(2)8(5)10(12)13/h3,11H,4H2,1-2H3 |
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| InChIKey | KBCDOXSSYLFMHH-UHFFFAOYSA-N |
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| SMILES | Cc1cnc(CO)c(C)c1[N+]([O-])=O |
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| CAS Datenbank | 149082-03-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.1%): 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 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. 4 (11.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29333990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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