HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 477697Erstellt: 3. November 2026
2-(2,6-Dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid
2-(2,6-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxylic acid · 2-(2,6-Dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic Acid · 1H-Isoindole-5-carboxylic acid, 2-(2,6-dimethylphenyl)-2,3-dihydro-1,3-dioxo-
https://huagongshe.com/de/chemical/477697
Identifikatoren & physikalische Daten
| CAS No. | 110768-27-9 |
|---|
| Summenformel | C17H13NO4 |
|---|
| Durchschnittliche Molmasse | 295,29 g/mol |
|---|
| Monoisotopische Masse | 295,0844579 g/mol |
|---|
| SMILES | Cc1cccc(C)c1N1C(=O)c2ccc(C(=O)O)cc2C1=O |
|---|
| InChIKey | QGMBPHSYAMSDPV-UHFFFAOYSA-N |
|---|
| PubChem CID | 477697 |
|---|
| EC No. | 163-321-6 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|
| Polarare Oberfläche (TPSA) | 74,7 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 22 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 493 |
|---|
| Siedepunkt | 528.1±60.0 °C(Predicted) |
|---|
| Dichte | 1.393±0.06 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 3.32±0.20(Predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
|---|
