HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 32176Erstellt: 26. Oktober 2026
6-Methoxynaphthalin-2-essigsure
6-MNA · BRL 10720 · Desmethyl Naproxe · DESMETHYL NAPROXEN · α-Demethylnaproxen · Naproxen Impurity I · Naproxen EP impurity I · alpha-Demethylnaproxen
https://huagongshe.com/de/chemical/32176
Identifikatoren & physikalische Daten
| CAS No. | 23981-47-7 |
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| Summenformel | C13H12O3 |
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| Durchschnittliche Molmasse | 216,23 g/mol |
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| Monoisotopische Masse | 216,07864424 g/mol |
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| SMILES | COc1ccc2cc(CC(=O)O)ccc2c1 |
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| InChIKey | PHJFLPMVEFKEPL-UHFFFAOYSA-N |
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| PubChem CID | 32176 |
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| ChEMBL | CHEMBL1105 |
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| ChEBI | CHEBI:35628 |
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| EC No. | 245-967-1 |
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| DTXSID | DTXSID70178705 |
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| Lokaler Name | 6-Methoxynaphthalin-2-essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
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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 | 16 |
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| Formalladung | 0 |
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| Komplexität | 252 |
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| Schmelzpunkt | 170-172°C |
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| Siedepunkt | 408.8±20.0 °C(Predicted) |
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| Dichte | 1.235 |
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| Lagerbedingungen | Sealed in dry,2-8°C |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| pKa (Säurekonstante) | 4.35±0.30(Predicted) |
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| Aggregatzustand | Off-white solid. |
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| Farbe | Off-White to Yellow |
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| InChI | 1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15) |
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| InChIKey | PHJFLPMVEFKEPL-UHFFFAOYSA-N |
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| SMILES | OC(CC1=CC2=CC=C(OC)C=C2C=C1)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2916399090 |
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| R-Sätze (R) | 22-36/37/38-37/38-41-50 |
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| Gefahrensymbole | Xn,Xi,N |
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| Sicherheitshinweise (S) | 26-39-61 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT SE 3 |
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