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1-Naphthaldehyd
naphthalene-1-carbaldehyde · naphthal · alpha-Naphthal · NAPHTHALENE-1-ALDEHYDE · 1-Naphthalenecarboxaldehyde · alpha-Naphthylcarboxaldehyde · Naphthalene-1-carboxaldehyde · 1-NAPHTHYLALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 30678-61-6 |
|---|---|
| Summenformel | C11H8O |
| Durchschnittliche Molmasse | 156,18 g/mol |
| Monoisotopische Masse | 156,05751487 g/mol |
| SMILES | O=Cc1cccc2ccccc12 |
| InChIKey | SQAINHDHICKHLX-UHFFFAOYSA-N |
| PubChem CID | 6195 |
| ChEMBL | CHEMBL3265260 |
| ChEBI | CHEBI:52367 |
| EC No. | 200-633-4 |
| DTXSID | DTXSID5058775 |
| Lokaler Name | 1-Naphthaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 164 |
| Physical Description | Yellow liquid with a pungent odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 1467249.26257.42364 |
| Schmelzpunkt | 1-2 °C (lit.) |
| Siedepunkt | 160-161 °C/15 mmHg (lit.) |
| Dichte | 1.15 g/mL at 25 °C (lit.) |
| Dampfdichte | >1 (vs air) |
| Brechungsindex | n20/D 1.652(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | <1g/lSoluble in ethanol, ether, acetone, benzene. Insoluble in water. |
| Aggregatzustand | Liquid |
| Wichte | 1.15 |
| Farbe | Clear yellow to dark yellow-brown |
| pH | 7 (< 1g/l, H2O, 20℃) |
| BRN | 386082 |
| InChI | 1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H |
| InChIKey | SQAINHDHICKHLX-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cccc2ccccc12 |
| CAS Datenbank | 66-77-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Naphthalenecarboxaldehyde(66-77-3) |
| EPA chemische Informationen | 1-Naphthaldehyde (66-77-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (41.4%): May be corrosive to metals [Warning Corrosive to Metals]H301 (42.1%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (56.4%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (42.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (41.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (11.3%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (41.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H412 (41.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P234, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 133 reports by companies from 12 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: 1-Naphthalenecarboxaldehyde1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes somnolence and muscle weakness in oral lethal-dose studies of ratsDermal LD50 (guinea pig) >20 mL/kg[RTECS] A skin, respiratory tract, and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS] See 2-Hydroxy-1-naphthaldehyde. See 2-Methylbenzaldehyde. |
| Hazard Classes and Categories | Met. Corr. 1 (41.4%)Acute Tox. 3 (42.1%)Acute Tox. 4 (56.4%)Acute Tox. 4 (42.9%)Skin Corr. 1A (41.4%) |
Anwendungen & Verwendung
Verwenden
1-Naphthaldehyde is used in the synthesis of single-crystalline homochiral porous metal-organic frameworks (MOFs). It is also a starting material for the Canizzaro reaction to produce 1-Naphthoic acid and 1-Naphthalenemethanol.