HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phthalylglycine aldehyde
2-(1,3-DIOXOISOINDOLIN-2-YL)ACETALDEHYDE · NSC 30242 · PHTHALIMIDOACETALDEHYDE · N-(2-Formyl)phthalimide · Rucaparib Intermediate 1 · Phthalylglycine aldehyde · N-(2-OXOETHYL)PHTHALIMIDE · 2-PHTHALIMIDOACETALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 2913-97-5 |
|---|---|
| Summenformel | C10H7NO3 |
| Durchschnittliche Molmasse | 189,17 g/mol |
| Monoisotopische Masse | 189,04259308 g/mol |
| SMILES | O=CCN1C(=O)c2ccccc2C1=O |
| InChIKey | LMRDBJZQDUVCQH-UHFFFAOYSA-N |
| PubChem CID | 76201 |
| EC No. | 805-896-4 |
| DTXSID | DTXSID60183388 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 263 |
| Schmelzpunkt | 116-118°C |
| Siedepunkt | 324.3±25.0 °C(Predicted) |
| Dichte | 1.376±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Chloroform (Slightly, Heated, Sonicated), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -2.45±0.20(Predicted) |
| Farbe | White to Pale Yellow |
| InChI | InChI=1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2 |
| InChIKey | LMRDBJZQDUVCQH-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CC=O |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.DangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Zollcode | 2933998090 |
| RTECS-Nr. | TI5125000 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Phthalimidoacetaldehyde (cas# 2913-97-5) is a compound useful in organic synthesis.