HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9856531Erstellt: 27. Oktober 2026
2-Iodo-6-methylbenzoic acid
BUTTPARK 148\07-14 · 2-IODO-6-METHYLBENZOIC ACID · Benzoic acid, 2-iodo-6-Methyl- · 6-Iodo-o-toluic acid, 2-Carboxy-3-iodotoluene
https://huagongshe.com/de/chemical/9856531
Identifikatoren & physikalische Daten
| CAS No. | 54811-50-6 |
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| Summenformel | C8H7IO2 |
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| Durchschnittliche Molmasse | 262,04 g/mol |
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| Monoisotopische Masse | 261,94907746 g/mol |
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| SMILES | Cc1cccc(I)c1C(=O)O |
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| InChIKey | LLVYMVJLXNNRND-UHFFFAOYSA-N |
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| PubChem CID | 9856531 |
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| EC No. | 866-843-9 |
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| DTXSID | DTXSID50431880 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 158 |
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| Siedepunkt | 322.3±30.0 °C(Predicted) |
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| Dichte | 1.867±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 2.57±0.31(Predicted) |
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| Farbe | Pale Beige to Beige |
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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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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2916399090 |
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