HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 302897Erstellt: 27. Oktober 2026
6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
BUTTPARK 120\07-74 · 6-fluoro-4H-1,4-benzoxazin-3-one · 6-Fluoro-4H-benzo[1,4]oxazin-3-one · 6-FLUORO-2H-1,4-BENZOXAZIN-3(4H)-ONE · 2H-1,4-Benzoxazin-3(4H)-one,6-fluoro- · 6-Fluoro-2,4-dihydro-1,4-benzoxazin-3-one · 6-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE · JRH-03204, 6-Fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one, 97%
https://huagongshe.com/de/chemical/302897
Identifikatoren & physikalische Daten
| CAS No. | 398-63-0 |
|---|
| Summenformel | C8H6FNO2 |
|---|
| Durchschnittliche Molmasse | 167,14 g/mol |
|---|
| Monoisotopische Masse | 167,0382566 g/mol |
|---|
| SMILES | O=C1COc2ccc(F)cc2N1 |
|---|
| InChIKey | ZKNRUFWEZPGGQP-UHFFFAOYSA-N |
|---|
| PubChem CID | 302897 |
|---|
| EC No. | 625-850-5 |
|---|
| DTXSID | DTXSID40192872 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|
| Polarare Oberfläche (TPSA) | 38,3 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 197 |
|---|
| Schmelzpunkt | 207-211 °C(lit.) |
|---|
| Siedepunkt | 322.9±42.0 °C(Predicted) |
|---|
| Dichte | 1.347±0.06 g/cm3(Predicted) |
|---|
| Aggregatzustand | solid |
|---|
| pKa (Säurekonstante) | 13.69±0.20(Predicted) |
|---|
| InChI | 1S/C8H6FNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11) |
|---|
| InChIKey | ZKNRUFWEZPGGQP-UHFFFAOYSA-N |
|---|
| SMILES | Fc1ccc2OCC(=O)Nc2c1 |
|---|
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 40 reports by companies from 3 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 |
|---|
| Zollcode | 2934999090 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
