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Anthracen-9-carbaldehyd
anthracene-9-carbaldehyde · 9-ANTHRACENECARBOXALDEHYDE · anthraldehyde · 9-Anthrylaldehyde · 9-Anthrylcarboxaldehyde · 9-Formylanthracene · AKOS B029849 · 9-Anthaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 642-31-9 |
|---|---|
| Summenformel | C15H10O |
| Durchschnittliche Molmasse | 206,24 g/mol |
| Monoisotopische Masse | 206,07316494 g/mol |
| SMILES | O=Cc1c2ccccc2cc2ccccc12 |
| InChIKey | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
| PubChem CID | 69504 |
| ChEMBL | CHEMBL4447118 |
| EC No. | 211-383-0 |
| DTXSID | DTXSID9060940 |
| Lokaler Name | Anthracen-9-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 238 |
| Physical Description | Gold colored powder[Alfa Aesar MSDS] |
| Kovats Retention Index | 2094368.3357.3356.6 |
| Schmelzpunkt | 103-105 °C (lit.) |
| Siedepunkt | 305.09°C (rough estimate) |
| Dichte | 1.0701 (rough estimate) |
| Brechungsindex | 1.6324 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in toluene. |
| Aggregatzustand | Crystalline Powder or Needles |
| Farbe | Yellow |
| BRN | 639167 |
| Stabilität | Stable. Incompatible with strong bases, strong oxidizing agents. |
| InChI | 1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H |
| InChIKey | YMNKUHIVVMFOFO-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1c2ccccc2cc3ccccc13 |
| CAS Datenbank | 642-31-9(CAS DataBase Reference) |
| NIST chemische Informationen | 9-Anthracenecarboxaldehyde(642-31-9) |
| EPA chemische Informationen | 9-Anthracenecarboxaldehyde (642-31-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 3 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: 9-AnthracenecarboxaldehydeStatus: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/188579-Anthracenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 4 (28.6%)Skin Irrit. 2 (71.4%)Eye Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29122900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
9-Anthraldehyde is used to prepare asymmetrical tridentate Schiff base ligands, 2-(9-anthrylmethyl-ideneamino)-4-methyl-phenol and functionalized ligand like 2-(anthracen-9-ylidene)-4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione through Knoevenangel condensation with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione. It is also used as an intermediate for dyes, pigment, active pharmaceutical ingredients and other organic compounds. Further, it is involved in the Diels Alder reaction with benzenediazonium-2-carboxylate.