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2-Naphthoesure
2-NAPHTHALENECARBOXYLIC ACID · 2-naphthoic · naphthalene-2-carboxylate · 0/4/93 · 2-maythicacid · 2-Maythic acid · 2-phthoic acid · 2-NAPHTOIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 93-09-4 |
|---|---|
| Summenformel | C11H8O2 |
| Durchschnittliche Molmasse | 172,18 g/mol |
| Monoisotopische Masse | 172,05242949 g/mol |
| SMILES | O=C(O)c1ccc2ccccc2c1 |
| InChIKey | UOBYKYZJUGYBDK-UHFFFAOYSA-N |
| PubChem CID | 7123 |
| ChEMBL | CHEMBL114648 |
| ChEBI | CHEBI:36106 |
| EC No. | 202-217-8 |
| DTXSID | DTXSID1059078 |
| Lokaler Name | 2-Naphthoesure |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 200 |
| Flammpunkt | 205 °C |
| Physical Description | Crystals from 95% alcohol[Merck Index] Colorless solid, almost insoluble in water[MSDSonline] |
| Dissociation Constants | 4.18 |
| Kovats Retention Index | 289.55 |
| Schmelzpunkt | 185-187 °C(lit.) |
| Siedepunkt | 300 °C |
| Dichte | 1.08 |
| Brechungsindex | 1.5520 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | alcohol: soluble<0.5 g/L (20 C) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.17(at 25℃) |
| Farbe | White to beige |
| pH | 4.5 (H2O, 20℃) |
| Merck | 14,6382 |
| BRN | 972039 |
| InChI | 1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13) |
| InChIKey | UOBYKYZJUGYBDK-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2ccccc2c1 |
| CAS Datenbank | 93-09-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Naphthalenecarboxylic acid(93-09-4) |
| EPA chemische Informationen | 2-Naphthalenecarboxylic acid (93-09-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Naphthalenecarboxylic acid2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Moderate skin and mucous membrane irritant[Merck Index] See 3-Hydroxy-2-naphthalenecarboxylic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (98%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| RTECS-Nr. | QL1050000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25-36/373/39 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Naphthoic acid is an unprotected acid undergoes lithiation, e.g. with s-BuLi, by stereospecific 1,4-addition, providing a facile route to 1,2,2-trisubstituted 1,2-dihydronaphthalenes. It is also used as an intermediate in organic synthesis. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.