HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,6-Difluorophenylacetic acid
Acid 2,6-difluoro · TIMTEC-BB SBB006631 · RARECHEM AL BO 0249 · 2,6-DIFLUOROPHENYLACETIC ACID · 2,6-DifluorophenylaceticAcid>2,6-Difluorophenylaceticacid97% · 2,6-DIFLUORO-BENZENE ACETIC ACID · 2,6-Difluorophenylacetic acid,99% · 2,6-Difluorophenylacetic acid 97%
Identifikatoren & physikalische Daten
| CAS No. | 85068-28-6 |
|---|---|
| Summenformel | C8H6F2O2 |
| Durchschnittliche Molmasse | 172,13 g/mol |
| Monoisotopische Masse | 172,03358587 g/mol |
| SMILES | O=C(O)Cc1c(F)cccc1F |
| InChIKey | FUGDCKXBUZFEON-UHFFFAOYSA-N |
| PubChem CID | 123585 |
| EC No. | 285-289-3 |
| DTXSID | DTXSID10234132 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 162 |
| Schmelzpunkt | 100-102 °C (lit.) |
| Siedepunkt | 219°C (rough estimate) |
| Dichte | 1.3010 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.73±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 3650109 |
| InChI | InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | FUGDCKXBUZFEON-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=C(F)C=CC=C1F |
| CAS Datenbank | 85068-28-6(CAS DataBase Reference) |
| NIST chemische Informationen | 2,6-Difluorophenylacetic acid(85068-28-6) |
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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2,6-Difluorophenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,6-Difluorophenylacetic acid has been used in the synthesis of:α-azidoacetophenonesN-(2,6-difluorobenzyl)-N′-(1H-5-indazolyl)urea