HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 74658Erstellt: 23. Oktober 2026
(p-Iodphenoxy)essigsure
4-Iodophenoxyacetic · 4-IODOPHENOXYACETIC ACID · P-IODOPHENOXYACETIC ACID · 4-IODOPHENOXYACETICACIDE · 2-(4-iodophenoxy)acetate · Iodine phenoxyacetic acid · 4-IodophenoxyaceticAcid>2-(4-iodophenoxy)aceticaci · 4-IODOPHENOXYACETIC ACID 90%
https://huagongshe.com/de/chemical/74658
Identifikatoren & physikalische Daten
| CAS No. | 1878-94-0 |
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| Summenformel | C8H7IO3 |
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| Durchschnittliche Molmasse | 278,04 g/mol |
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| Monoisotopische Masse | 277,94399208 g/mol |
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| SMILES | O=C(O)COc1ccc(I)cc1 |
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| InChIKey | RKORKXFKXYYHAQ-UHFFFAOYSA-N |
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| PubChem CID | 74658 |
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| ChEMBL | CHEMBL366651 |
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| EC No. | 217-531-0 |
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| DTXSID | DTXSID80172092 |
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| Lokaler Name | (p-Iodphenoxy)essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 152 |
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| LogP (Verteilungskoeffizient) | 2.69 |
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| Schmelzpunkt | 154-157 °C(lit.) |
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| Siedepunkt | 358.5±22.0 °C(Predicted) |
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| Dichte | 1.8227 (estimate) |
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| pKa (Säurekonstante) | pK1:3.16 (25°C) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| BRN | 2259999 |
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| InChI | 1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
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| InChIKey | RKORKXFKXYYHAQ-UHFFFAOYSA-N |
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| SMILES | OC(=O)COc1ccc(I)cc1 |
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| CAS Datenbank | 1878-94-0(CAS DataBase Reference) |
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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)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29189900 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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