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HCID 73828Erstellt: 27. Oktober 2026
Methyl-3-amino-5,6-dichlorpyrazin-2-carboxylat
METHYL 3-AMINO-5,6-DICHLOROPYRAZINE-2-CARBOXYLATE · SKL299 · TIMTEC-BB SBB003342 · METHYL 3-AMINO-5 6-DICHLORO-2-PYRAZINE-& · methyl 6-amino-2,3-dichloropyrazine-5-carboxylate · methyl 3-amino-5,6-dichloro-2-pyrazine-carboxylat · Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate · Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate,98%
https://huagongshe.com/de/chemical/73828
Identifikatoren & physikalische Daten
| CAS No. | 1458-18-0 |
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| Summenformel | C6H5Cl2N3O2 |
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| Durchschnittliche Molmasse | 222,03 g/mol |
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| Monoisotopische Masse | 220,9758818 g/mol |
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| SMILES | COC(=O)c1nc(Cl)c(Cl)nc1N |
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| InChIKey | USYMCUGEGUFUBI-UHFFFAOYSA-N |
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| PubChem CID | 73828 |
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| ChEMBL | CHEMBL3184300 |
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| EC No. | 215-947-7 |
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| DTXSID | DTXSID8057645 |
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| Lokaler Name | Methyl-3-amino-5,6-dichlorpyrazin-2-carboxylat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 78,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 204 |
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| Schmelzpunkt | 227-230 °C |
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| Siedepunkt | 357.3±37.0 °C(Predicted) |
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| Dichte | 1.586 |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly) |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | -2.74±0.10(Predicted) |
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| Farbe | Light brown to red-brown |
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| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
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| InChI | InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11) |
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| InChIKey | USYMCUGEGUFUBI-UHFFFAOYSA-N |
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| SMILES | C1(C(OC)=O)=NC(Cl)=C(Cl)N=C1N |
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| LogP (Verteilungskoeffizient) | 1.9-2.2 at 35℃ |
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| CAS Datenbank | 1458-18-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (81.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (91.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22883Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (91.8%)Eye Irrit. 2 (91.8%)Acute Tox. 4 (81.6%)STOT SE 3 (91.8%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339980 |
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| R-Sätze (R) | 36/37/38-20/22-20 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 36/37/39-26-22-45 |
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| Lagerklasse | 11 - Combustible Solids |
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