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2,3-Difluorophenylacetic acid
2,3-DIFLUOROBENZENEACETIC ACID · 2-(2,3-DIFLUOROPHENYL)ACETIC ACID · Acid 2,3-difluoro · RARECHEM AL BO 0630 · 2,3-Difluorophenylacetic acid · 2,3-DifluorophenylaceticAcid>2,3-Difluorophenylaceticacid97% · Benzeneacetic acid, 2,3-difluoro- · 2 3-DIFLUOROPHENYLACETIC ACID 97%
Identifikatoren & physikalische Daten
| CAS No. | 145689-41-4 |
|---|---|
| Summenformel | C8H6F2O2 |
| Durchschnittliche Molmasse | 172,13 g/mol |
| Monoisotopische Masse | 172,03358587 g/mol |
| SMILES | O=C(O)Cc1cccc(F)c1F |
| InChIKey | UXSQXUSJGPVOKT-UHFFFAOYSA-N |
| PubChem CID | 520772 |
| EC No. | 642-544-7 |
| DTXSID | DTXSID20334455 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 116-119 °C (lit.) |
| Siedepunkt | 258.1±25.0 °C(Predicted) |
| Dichte | 1.373±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.81±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| InChI | InChI=1S/C8H6F2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | UXSQXUSJGPVOKT-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=CC(F)=C1F |
| CAS Datenbank | 145689-41-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,3-Difluorophenylacetic acid may be used in chemical synthesis.