HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 196869Erstellt: 26. Oktober 2026
Methyl 2-iodoisonicotinate
methyl 2-iodoisonicotinate · m-2-Iict · methyl 2-iodopyridine-4-carboxylate · 2-IODO-ISONICOTINIC ACID METHYL ESTER · 2-iodo-4-pyridinecarboxylic acid methyl ester · 4-Pyridinecarboxylic acid, 2-iodo-, methyl ester
https://huagongshe.com/de/chemical/196869
Identifikatoren & physikalische Daten
| CAS No. | 134579-47-8 |
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| Summenformel | C7H6INO2 |
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| Durchschnittliche Molmasse | 263,03 g/mol |
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| Monoisotopische Masse | 262,94432643 g/mol |
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| SMILES | COC(=O)c1ccnc(I)c1 |
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| InChIKey | XXOKMYMXDALOEN-UHFFFAOYSA-N |
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| PubChem CID | 196869 |
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| EC No. | 960-790-6 |
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| DTXSID | DTXSID60158814 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 39,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 151 |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
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| Aggregatzustand | solid |
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| InChI | 1S/C7H6INO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3 |
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| InChIKey | XXOKMYMXDALOEN-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1ccnc(I)c1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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