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Methyl 4-fluoro-3-nitrobenzoate
RARECHEM AL BF 0858 · uoro-3-nitrobenzoate · Methyl 3-nitro-4-fluorobenzene · Methyl 4-fluro-3-nitrobenzoate · METHYL 4-FLUORO-3-NITROBENZOATE · 4-fluoro-2-methyl-3-nitrobenzoate · Methyl4-fluoro-3-nitrobenzoate97% · Methyl4-Fluoro-3-nitrobenzoate>Methyl 4-fluoro-3-nitrobenzoate 97%
Identifikatoren & physikalische Daten
| CAS No. | 329-59-9 |
|---|---|
| Summenformel | C8H6FNO4 |
| Durchschnittliche Molmasse | 199,14 g/mol |
| Monoisotopische Masse | 199,02808589 g/mol |
| SMILES | COC(=O)c1ccc(F)c([N+](=O)[O-])c1 |
| InChIKey | CNJJSTPBUHAEFH-UHFFFAOYSA-N |
| PubChem CID | 5219721 |
| EC No. | 683-872-0 |
| DTXSID | DTXSID00410923 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 240 |
| Schmelzpunkt | 56-59℃ |
| Siedepunkt | 299°C |
| Dichte | 1.388 |
| Flammpunkt | 135°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| Farbe | White to Yellow to Green |
| Löslichkeit | Soluble in ethanol, ether and methanol. Insoluble in water. |
| InChI | InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3 |
| InChIKey | CNJJSTPBUHAEFH-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=C(F)C([N+]([O-])=O)=C1 |
| CAS Datenbank | 329-59-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (92.9%) |
| Zollcode | 2916310090 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3',4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.