HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoro-4-nitroanisole
2-Fluoro-4-methoxy-1-nitrobenzene · 3-FLUORO-4-NITROANISOLE · Anisole, 3-fluoro-4-nitro- · 3-Fluoro-4-nitroanisole 98% · 2-Fluoro-4-methoxynitrobenzene · 3-Fluor-4-nitrophenylmethylether · Benzene, 2-fluoro-4-methoxy-1-nitro- · 2-FLUORO-4-(METHOXY-D3)-1-NITROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 446-38-8 |
|---|---|
| Summenformel | C7H6FNO3 |
| Durchschnittliche Molmasse | 171,13 g/mol |
| Monoisotopische Masse | 171,03317127 g/mol |
| SMILES | COc1ccc([N+](=O)[O-])c(F)c1 |
| InChIKey | PLEJCMKVJYUUBA-UHFFFAOYSA-N |
| PubChem CID | 565654 |
| EC No. | 695-695-6 |
| DTXSID | DTXSID10340560 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 57.3 |
| Siedepunkt | 264.5±20.0 °C(Predicted) |
| Dichte | 1.321±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | crystalline solid |
| Farbe | Off-white |
| InChI | InChI=1S/C7H6FNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
| InChIKey | PLEJCMKVJYUUBA-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)=CC=C(OC)C=C1F |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (90.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, 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. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (90.5%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 3261 |
| Zollcode | 2909309090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Aquatic Chronic 3Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | Ⅱ |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Fluoro-4-nitroanisole is synthesizing new antiseptic-germicide, sterilant, and the important organic fluoride-containing intermediate of liquid crystal material.