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3-Fluorphthalsureanhydrid
4-Fluoroisobenzofuran-1,3-dione · 3-Fuorophthalic anhydride · 3-FLUOROPHTHALIC ANHYDRIDE · 3-Flourophthalie anhydride · 5-FLUORO-ISOBENZOFURANDIONE · 3-Fluorophthalicanhydride98% · 3-FluorophthalicAnhydride>3-Fluorophthalic anhydride 98% · 3-FluorophthalicAnhydride,~97%
Identifikatoren & physikalische Daten
| CAS No. | 652-39-1 |
|---|---|
| Summenformel | C8H3FO3 |
| Durchschnittliche Molmasse | 166,11 g/mol |
| Monoisotopische Masse | 166,00662218 g/mol |
| SMILES | O=C1OC(=O)c2c(F)cccc21 |
| InChIKey | WWJAZKZLSDRAIV-UHFFFAOYSA-N |
| PubChem CID | 69551 |
| ChEMBL | CHEMBL2270549 |
| EC No. | 211-491-8 |
| DTXSID | DTXSID00215511 |
| Lokaler Name | 3-Fluorphthalsureanhydrid |
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 | Chemical shift |
| Schmelzpunkt | 159-163 °C |
| Siedepunkt | 283°C(lit.) |
| Dichte | 1.4338 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Benzene (Slightly), DMSO (Slightly)insoluble |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| BRN | 1283580 |
| InChI | InChI=1S/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H |
| InChIKey | WWJAZKZLSDRAIV-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C(F)=CC=C2)C(=O)O1 |
| CAS Datenbank | 652-39-1(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Fluorophthalic anhydride(652-39-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 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 | 29173990 |
| R-Sätze (R) | 42/43-36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-26-36 |
| Gefahrenklasse | IRRITANT, MOISTURE SENSITIVEEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Fluorophthalic anhydride used in the preparation of substituted benzamides with potential neuroleptic activity.1