HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2801166Erstellt: 26. Oktober 2026
4-Amino-2-chloropyrimidine-5-carbonitrile
BUTTPARK 60\40-60 · 4-amino-2-chloropyrimidine-5-nitrile · 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXNITR& · 4-Amino-2-chloropyrimidine-5-carbonitrile · 4-AMINO-2-CHLORO-5-PYRIMIDINECARBONITRILE · 5-PyriMidinecarbonitrile, 4-aMino-2-chloro- · 4-Amino-2-chloropyrimidine-5-carbonitrile ,97% · 4-Amino-2-chloropyrimidine-5-carbonitrile , Tech.
https://huagongshe.com/de/chemical/2801166
Identifikatoren & physikalische Daten
| CAS No. | 94741-69-2 |
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| Summenformel | C5H3ClN4 |
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| Durchschnittliche Molmasse | 154,56 g/mol |
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| Monoisotopische Masse | 154,00462378 g/mol |
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| SMILES | N#Cc1cnc(Cl)nc1N |
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| InChIKey | WDHFCSOENXEMRC-UHFFFAOYSA-N |
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| PubChem CID | 2801166 |
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| ChEMBL | CHEMBL1980853 |
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| EC No. | 625-430-1 |
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| DTXSID | DTXSID60384217 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 75,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 162 |
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| Schmelzpunkt | 200 °C (dec.) (lit.) |
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| Siedepunkt | 435.0±30.0 °C(Predicted) |
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| Dichte | 1.53±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Löslichkeit | DMF, DMSO, Methanol, Water |
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| pKa (Säurekonstante) | -0.68±0.10(Predicted) |
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| Aggregatzustand | Powder or Flakes |
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| Farbe | Brown |
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| InChI | InChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10) |
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| InChIKey | WDHFCSOENXEMRC-UHFFFAOYSA-N |
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| SMILES | C1(Cl)=NC=C(C#N)C(N)=N1 |
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| CAS Datenbank | 94741-69-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN3439 |
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| Zollcode | 29335990 |
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| R-Sätze (R) | 22-37/38-41-43 |
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| Gefahrensymbole | Xn |
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| hazard_note | Harmful |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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