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HCID 76991Erstellt: 27. Oktober 2026
6-Methoxynaphthalin-2-carbaldehyd
6-methoxynaphthalene-2-carbaldehyde · TIMTEC-BB SBB010060 · Mitotane Impurity 17 · LABOTEST-BB LT01147524 · ASINEX-REAG BAS 07663025 · 6-Methoxy-2-Naphtaldehyde · 6-Methoxy-2-napthaldehyde · 6-METHOXY-2-NAPHTHALDEHYDE
https://huagongshe.com/de/chemical/76991
Identifikatoren & physikalische Daten
| CAS No. | 3453-33-6 |
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| Summenformel | C12H10O2 |
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| Durchschnittliche Molmasse | 186,21 g/mol |
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| Monoisotopische Masse | 186,06807956 g/mol |
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| SMILES | COc1ccc2cc(C=O)ccc2c1 |
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| InChIKey | VZBLASFLFFMMCM-UHFFFAOYSA-N |
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| PubChem CID | 76991 |
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| ChEMBL | CHEMBL3561749 |
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| EC No. | 222-377-2 |
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| DTXSID | DTXSID3057721 |
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| Lokaler Name | 6-Methoxynaphthalin-2-carbaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 202 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 81-84 °C(lit.) |
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| Siedepunkt | 196 °C / 10mmHg |
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| Dichte | 1.169±0.06 g/cm3(Predicted) |
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| Dampfdruck | 0.022Pa at 25℃ |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Sonicated)150.1mg/L at 25℃ |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Light orange |
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| BRN | 1945989 |
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| InChI | InChI=1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3 |
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| InChIKey | VZBLASFLFFMMCM-UHFFFAOYSA-N |
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| SMILES | C1=C2C(C=C(OC)C=C2)=CC=C1C=O |
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| LogP (Verteilungskoeffizient) | 2.97 at 25℃ |
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| CAS Datenbank | 3453-33-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.WarningH315 (93.3%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 05-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20360 |
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| Hazard Classes and Categories | Skin Irrit. 2 (93.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29124990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-24/25-37/39 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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