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HCID 21473592Erstellt: 27. Oktober 2026
2-Chloro-5-pyrimidinecarbonitrile
2-Chloro-5-pyriMidinecarb... · 2-Chloro-5-pyriMidinecarbonitril · 2-Chloropyrimidine-5-carbonitrile · 2-Chloro-5-pyrimidinecarbonitrile · 5-Pyrimidinecarbonitrile, 2-chloro- · 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI) · 5-Pyrimidinecarbonitrile, 2-chloro- (7CI,8CI) ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/21473592
Identifikatoren & physikalische Daten
| CAS No. | 1753-50-0 |
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| Summenformel | C5H2ClN3 |
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| Durchschnittliche Molmasse | 139,54 g/mol |
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| Monoisotopische Masse | 138,99372474 g/mol |
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| SMILES | N#Cc1cnc(Cl)nc1 |
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| InChIKey | FXQSUQZXESNFNH-UHFFFAOYSA-N |
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| PubChem CID | 21473592 |
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| EC No. | 800-051-6 |
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| DTXSID | DTXSID00614368 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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| Polarare Oberfläche (TPSA) | 49,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 130 |
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| Schmelzpunkt | 130-132 °C |
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| Siedepunkt | 331.3±15.0 °C(Predicted) |
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| Dichte | 1.43±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| pKa (Säurekonstante) | -4.13±0.22(Predicted) |
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| InChI | InChI=1S/C5H2ClN3/c6-5-8-2-4(1-7)3-9-5/h2-3H |
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| InChIKey | FXQSUQZXESNFNH-UHFFFAOYSA-N |
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| SMILES | C1(Cl)=NC=C(C#N)C=N1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (87.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 32 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 (96.9%) |
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| Zollcode | 2933399990 |
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