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Terephthalaldehyd
1,4-PHTHALALDEHYDE · Terephthaldehyde · 1,4-BENZENEDICARBOXALDEHYDE · TEREPHTHALDICARBOXALDEHYDE · P-PHTHALALDEHYDE · TPAL · Benzene-1,4-dialdehyde · P-benzaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 623-27-8 |
|---|---|
| Summenformel | C8H6O2 |
| Durchschnittliche Molmasse | 134,13 g/mol |
| Monoisotopische Masse | 134,03677943 g/mol |
| SMILES | O=Cc1ccc(C=O)cc1 |
| InChIKey | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
| PubChem CID | 12173 |
| EC No. | 210-784-8 |
| DTXSID | DTXSID6060769 |
| Lokaler Name | Terephthalaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 107 |
| Color/Form | Needles from water |
| Löslichkeit | In water, 200 mg/L at 25 °CInsoluble in waterVery soluble in ethanolsoluble in ethyl ether, chloroform, alkalies3g/l3 g/L (50 ºC) |
| Flammpunkt | 76 °C (169 °F) - closed cup |
| Siedepunkt | 246 °C245-248 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Schmelzpunkt | 117 °C114-116 °C (lit.) |
| Physical Description | White to cream crystalline powder[Alfa Aesar MSDS] |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Kovats Retention Index | 11662347 |
| Dichte | 1,06 g/cm3 |
| Dampfdruck | 0.25-0.46Pa at 20-25℃ |
| Brechungsindex | 1.4800 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| BRN | 385863 |
| Henry-Konstante | 1.6×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| Kosmetik-Inhaltsstoffe Funktionen | PRESERVATIVE |
| InChI | 1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H |
| InChIKey | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(cc1)C([H])=O |
| LogP (Verteilungskoeffizient) | 1 at 20.1℃ and pH6.6-6.8 |
| CAS Datenbank | 623-27-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Benzenedicarboxaldehyde(623-27-8) |
| EPA chemische Informationen | 1,4-Benzenedicarboxaldehyde (623-27-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 45.7% (21 of 46) of reports.DangerH302 (26.1%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (23.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (19.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (23.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H331 (23.9%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (19.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 21 of 46 reports by companies.There are 8 notifications provided by 25 of 46 reports by companies with hazard statement code(s).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: 1,4-BenzenedicarboxaldehydeStatus: Active Update: 08-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27180Status: Active Update: 26-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/203581,4-Benzenedicarboxaldehyde: 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 o-Phthalaldehyde. |
| Toxic Combustion Products | Special hazards arising from the substance or mixture: Carbon oxides. |
Anwendungen & Verwendung
Beschreibung
Terephthalaldehyde is an aromatic dialdehyde. Theoretically, the two aldehydes of terephthalaldehyde (TPA) are equivalent, so the single or double Schiff base from TPA and d-glucosamine (Glc) may be formed at the same time. It is used as an intermediate for the preparation of dyes and fluorescent whitening agents and in the synthesis of polyimines by reacting with aliphatic diamines. It is also used as a precursor for the preparation of paramagnetic microporous polymeric organic frameworks (POFs) through copolymerization with pyrrole, indole, and carbazole. As a good crosslinking agent, it could used in crosslinked chitosan hydrogel for the selective removal of anionic dyes[1].
Verwenden
Terephthalaldehyde (cas# 623-27-8) is a compound useful in organic synthesis.