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1-Naphthoesure
1-NAPHTHALENECARBOXYLIC ACID · NAPHTHALENE-1-CARBOXYLIC ACID · NSC 37569 · 1-naphthoic · 1-phthoic acid · 1-Naphthoesure · 1-NAPTHOIC ACID · 1-Naphtoic Acid
Identifikatoren & physikalische Daten
| CAS No. | 1320-04-3 |
|---|---|
| Summenformel | C11H8O2 |
| Durchschnittliche Molmasse | 172,18 g/mol |
| Monoisotopische Masse | 172,05242949 g/mol |
| SMILES | O=C(O)c1cccc2ccccc12 |
| InChIKey | LNETULKMXZVUST-UHFFFAOYSA-N |
| PubChem CID | 6847 |
| ChEMBL | CHEMBL1160 |
| ChEBI | CHEBI:36466 |
| EC No. | 201-681-9 |
| DTXSID | DTXSID50861668 |
| Lokaler Name | 1-Naphthoesure |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 200 |
| Schmelzpunkt | 157-160 °C (lit.) |
| Siedepunkt | 300 °C (lit.) |
| Dichte | 1.398 |
| Brechungsindex | 1.4600 (estimate) |
| Flammpunkt | 195°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in hot waterfreely soluble in hot ethanol, etherFreely soluble in hot alcohol and ether. Slightly soluble in hot water. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.7(at 25℃) |
| Farbe | Slightly yellow to brown |
| Wichte | 1.398 |
| Merck | 14,6381 |
| BRN | 1908896 |
| Stabilität | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Hauptanwendungen | Photoresists, recording materials, waveguides, battery, ink, rubber, plastic films, agriculture, cosmetics, Sunscreen, method for preserving food, drugs, biosensors |
| InChI | 1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13) |
| InChIKey | LNETULKMXZVUST-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc2ccccc12 |
| CAS Datenbank | 86-55-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Naphthalenecarboxylic acid(86-55-5) |
| EPA chemische Informationen | 1-Naphthalenecarboxylic acid (86-55-5) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| RTECS-Nr. | QL0960000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25-37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Naphthoic acid is used as an intermediate for the synthesis of pharmaceuticals, photochemicals, plant growth hormones, dyes and other organic compounds.