HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 49758024Erstellt: 4. November 2026
5-Bromo-7-fluoro-2,3-dihydro-1H-isoindol-1-one
Octanoicacid,11-mercapto- · 5-bromo-7-fluoroisoindolin-1-one · 5-bromo-7-fluoroisoindoleline-1-one · 5-Bromo-7-fluoro-2,3-dihydro-isoindol-1-one · 5-bromo-7-fluoro-2,3-dihydro-1H-isoindol-1-one · 1H-Isoindol-1-one, 5-broMo-7-fluoro-2,3-dihydro-
https://huagongshe.com/de/chemical/49758024
Identifikatoren & physikalische Daten
| CAS No. | 957346-37-1 |
|---|
| Summenformel | C8H5BrFNO |
|---|
| Durchschnittliche Molmasse | 230,03 g/mol |
|---|
| Monoisotopische Masse | 228,95385 g/mol |
|---|
| SMILES | O=C1NCc2cc(Br)cc(F)c21 |
|---|
| InChIKey | ORSGCYDNFXZYKN-UHFFFAOYSA-N |
|---|
| PubChem CID | 49758024 |
|---|
| EC No. | 863-165-5 |
|---|
| DTXSID | DTXSID40677836 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|
| Polarare Oberfläche (TPSA) | 29,1 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 211 |
|---|
| Siedepunkt | 455.5±45.0 °C(Predicted) |
|---|
| Dichte | 1.749±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| pKa (Säurekonstante) | 12.59±0.20(Predicted) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
|---|
| Gefahrenklasse | IRRITANT |
|---|
