HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Formylphenylacetat
4-FORMYLPHENYL ACETATE · 4-AcetoxybenzaL · TIMTEC-BB SBB008231 · 4-ACETOXYBENZALDEHYDE · P-ACETOXYBENZALDEHYDE · 4-Acetoxybenzaldehdye · P-FORMYLPHENYL ACETATE · ASINEX-REAG BAS 04292673
Identifikatoren & physikalische Daten
| CAS No. | 878-00-2 |
|---|---|
| Summenformel | C9H8O3 |
| Durchschnittliche Molmasse | 164,16 g/mol |
| Monoisotopische Masse | 164,04734412 g/mol |
| SMILES | CC(=O)Oc1ccc(C=O)cc1 |
| InChIKey | SEVSMVUOKAMPDO-UHFFFAOYSA-N |
| PubChem CID | 70144 |
| ChEBI | CHEBI:86559 |
| EC No. | 212-898-3 |
| DTXSID | DTXSID4061250 |
| Lokaler Name | 4-Formylphenylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 213 °C |
| Siedepunkt | 152-153 °C/17 mmHg (lit.) |
| Dichte | 1.168 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.538(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Wichte | 1.168 |
| BRN | 1101359 |
| InChI | 1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3 |
| InChIKey | SEVSMVUOKAMPDO-UHFFFAOYSA-N |
| SMILES | CC(=O)Oc1ccc(C=O)cc1 |
| CAS Datenbank | 878-00-2(CAS DataBase Reference) |
| EPA chemische Informationen | Benzaldehyde, 4-(acetyloxy)- (878-00-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 57 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29153900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Acetoxybenzaldehyde is used as pharmaceutical intermediate.