HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 14281Erstellt: 27. Oktober 2026
6-Amino-5-iodo-2(1H)-pyrimidinone
IODOCYTOSINE · 5-iodo-cytosin · 5-Iodocytosine · 5-iodocytomidine · Cytosine, 5-iodo- · 5-Iodocytosine ,98% · 5-IODOCYTOSINE USP/EP/BP · 4-Amino-5-iodopyrimidin-2(1H)
https://huagongshe.com/de/chemical/14281
Identifikatoren & physikalische Daten
| CAS No. | 1122-44-7 |
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| Summenformel | C4H4IN3O |
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| Durchschnittliche Molmasse | 237 g/mol |
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| Monoisotopische Masse | 236,93990975 g/mol |
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| SMILES | Nc1[nH]c(=O)ncc1I |
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| InChIKey | UFVWJVAMULFOMC-UHFFFAOYSA-N |
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| PubChem CID | 14281 |
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| EC No. | 625-390-5 |
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| DTXSID | DTXSID40149947 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
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| Polarare Oberfläche (TPSA) | 67,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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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 | 208 |
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| Dichte | 2.65±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
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| Löslichkeit | formic acid: 50mg/mL |
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| pKa (Säurekonstante) | 7.58±0.10(Predicted) |
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| Aggregatzustand | powder |
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| Biologische Quelle | synthetic (organic) |
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| InChI | 1S/C4H4IN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9) |
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| InChIKey | UFVWJVAMULFOMC-UHFFFAOYSA-N |
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| SMILES | [H]N1C=C(I)C(N)=NC1=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
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| F | 8-10-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29335990 |
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| RTECS-Nr. | HA6125000 |
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| R-Sätze (R) | 22 |
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| Toxizität | mouse,LDLo,intraperitoneal,50mg/kg (50mg/kg),Biochemical Pharmacology. Vol. 13, Pg. 1249, 1964. |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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