HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 93086Erstellt: 3. November 2026
2-Carbamoylphenoxyessigsure
99.0%(T) · AKOS AU36-M6 · salicylamide-2-acetic acid · SALICYLAMIDE O-ACETIC ACID · 2-(CARBOXYMETHOXY)BENZAMIDE · o-(carboxymethoxy)benzamide · O-Carboxymethylsalicylic acid · (o-carbamoylphenoxy)aceticacid
https://huagongshe.com/de/chemical/93086
Identifikatoren & physikalische Daten
| CAS No. | 25395-22-6 |
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| Summenformel | C9H9NO4 |
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| Durchschnittliche Molmasse | 195,17 g/mol |
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| Monoisotopische Masse | 195,05315777 g/mol |
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| SMILES | NC(=O)c1ccccc1OCC(=O)O |
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| InChIKey | RLISWLLILOTWGG-UHFFFAOYSA-N |
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| PubChem CID | 93086 |
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| ChEMBL | CHEMBL1700554 |
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| ChEBI | CHEBI:134850 |
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| EC No. | 246-940-7 |
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| DTXSID | DTXSID90180047 |
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| Lokaler Name | 2-Carbamoylphenoxyessigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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| Polarare Oberfläche (TPSA) | 89,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 229 |
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| Schmelzpunkt | 222°C |
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| Siedepunkt | 331.83°C (rough estimate) |
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| Dichte | 1.3544 (rough estimate) |
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| Brechungsindex | 1.5700 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated) |
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| pKa (Säurekonstante) | 3.06±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | White to Off-White |
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| Merck | 14,8329 |
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| CAS Datenbank | 25395-22-6(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)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 | 2924.29.7790 |
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| RTECS-Nr. | AF7893000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANT |
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