HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Isobenzofurandione, 5-fluoro-
4-FLUOROPHTHALIC ANHYDRIDE · 4-FPA · 4-Fluorophthalic · 4-Fluorophthalicanhydride97% · 4-FluorophthalicAnhydride>5-fluoro-3-isobenzofurandione · 4-Fluorophthalicanhydride,98% · 4-Fluor-phthalsaeure-anhydrid · 4-Fluorophthalic anhydride 97%
Identifikatoren & physikalische Daten
| CAS No. | 319-03-9 |
|---|---|
| Summenformel | C8H3FO3 |
| Durchschnittliche Molmasse | 166,11 g/mol |
| Monoisotopische Masse | 166,00662218 g/mol |
| SMILES | O=C1OC(=O)c2cc(F)ccc21 |
| InChIKey | XVMKZAAFVWXIII-UHFFFAOYSA-N |
| PubChem CID | 67572 |
| EC No. | 629-042-3 |
| DTXSID | DTXSID7059802 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 238 |
| SpringerMaterials Properties | 19F nuclear magnetic resonance spectrum |
| Schmelzpunkt | 75-79 °C (lit.) |
| Siedepunkt | 148°C 20mm |
| Dichte | 1.55 |
| Flammpunkt | >93°C |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Soluble in sodium hydroxide. |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 131281 |
| InChI | InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H |
| InChIKey | XVMKZAAFVWXIII-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(F)C=C2)C(=O)O1 |
| CAS Datenbank | 319-03-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Isobenzofurandione, 5-fluoro- (319-03-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 3 (86.7%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29173990 |
| R-Sätze (R) | 22-36/37/38-42/43 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | IRRITANT, MOISTURE SENSITIVEAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Fluorophthalic anhydride is used in the preparation of 5-fluoro-2-pyridin-3-ylmethyl-isoindole-1,3-dione by reacting with C-pyridin-3-yl-methylamine.