HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 98950Erstellt: 24. Oktober 2026
Chlor(phenyl)essigsure
2-Chloro-2-phenylacetic acid · AKOS 94160 · AKOS BBS-00004000 · A-CHLOROPHENYLACETIC ACID · α-Chlorophenylacetic acid · α-Chlorobenzeneacetic acid · ALPHA-CHLOROPHENYLACETIC ACID · Benzeneacetic acid, α-chloro-
https://huagongshe.com/de/chemical/98950
Identifikatoren & physikalische Daten
| CAS No. | 4755-72-0 |
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| Summenformel | C8H7ClO2 |
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| Durchschnittliche Molmasse | 170,59 g/mol |
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| Monoisotopische Masse | 170,01345714 g/mol |
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| SMILES | O=C(O)C(Cl)c1ccccc1 |
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| InChIKey | QKSGIGXOKHZCQZ-UHFFFAOYSA-N |
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| PubChem CID | 98950 |
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| EC No. | 225-284-5 |
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| DTXSID | DTXSID101023256 |
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| Lokaler Name | Chlor(phenyl)essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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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 | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 141 |
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| Schmelzpunkt | 60-61 °C(Solv: ligroine (8032-32-4)) |
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| Siedepunkt | 125-140 °C(Press: 3 Torr) |
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| Dichte | 1.322±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 2.40±0.10(Predicted) |
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| Aggregatzustand | lumps |
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| InChI | 1S/C8H7ClO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11) |
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| InChIKey | QKSGIGXOKHZCQZ-UHFFFAOYSA-N |
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| SMILES | OC(=O)C(Cl)c1ccccc1 |
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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 40 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 | 2916399090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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