HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1201421Erstellt: 24. Oktober 2026
5-Iodopyrimidine
5-Jodpyrimidin · 5-Iodopyrimidine · 5-Iodo-1,3-diazine · PyriMidine, 5-iodo- · 5-IODOPYRIMIDINE ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/1201421
Identifikatoren & physikalische Daten
| CAS No. | 31462-58-5 |
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| Summenformel | C4H3IN2 |
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| Durchschnittliche Molmasse | 205,98 g/mol |
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| Monoisotopische Masse | 205,9340961 g/mol |
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| SMILES | Ic1cncnc1 |
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| InChIKey | DNWRLMRKDSGSPL-UHFFFAOYSA-N |
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| PubChem CID | 1201421 |
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| ChEMBL | CHEMBL5420887 |
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| EC No. | 806-903-3 |
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| DTXSID | DTXSID00360893 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 25,8 |
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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 | 7 |
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| Formalladung | 0 |
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| Komplexität | 51,7 |
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| Schmelzpunkt | 266-268 °C(Solv: water (7732-18-5)) |
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| Siedepunkt | 231.6±13.0 °C(Predicted) |
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| Dichte | 2.102±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | 1.38±0.10(Predicted) |
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| Farbe | white |
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| InChI | InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H |
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| InChIKey | DNWRLMRKDSGSPL-UHFFFAOYSA-N |
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| SMILES | C1=NC=C(I)C=N1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 4 reports by companies from 2 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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| Zollcode | 2933599590 |
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