HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 94956Erstellt: 27. Oktober 2026
5-Fluor-2-nitrotoluol
4-FLUORO-2-METHYL-1-NITROBENZENE · 3-FLUORO-6-NITROTOLUENE · uoro-2-nitroto · uoro-2-nitrotoL · Fluoro-2-nitrotolu · Fluoronitrotoluene5 · 5-Fluoro-2-nitrotolu · 5-FLUORO-2-NITROTOLUENE
https://huagongshe.com/de/chemical/94956
Identifikatoren & physikalische Daten
| CAS No. | 446-33-3 |
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| Summenformel | C7H6FNO2 |
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| Durchschnittliche Molmasse | 155,13 g/mol |
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| Monoisotopische Masse | 155,03825665 g/mol |
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| SMILES | Cc1cc(F)ccc1[N+](=O)[O-] |
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| InChIKey | JHFOWEGCZWLHNW-UHFFFAOYSA-N |
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| PubChem CID | 94956 |
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| EC No. | 207-164-4 |
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| DTXSID | DTXSID80196238 |
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| Lokaler Name | 5-Fluor-2-nitrotoluol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 45,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 157 |
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| Schmelzpunkt | 28°C |
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| Siedepunkt | 97-98 °C/10 mmHg (lit.) |
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| Dichte | 1.272 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.527(lit.) |
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| Flammpunkt | 190 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to lump to clear liquid |
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| Farbe | White or Colorless to Yellow |
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| Wichte | 1.272 |
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| BRN | 2046652 |
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| InChI | InChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3 |
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| InChIKey | JHFOWEGCZWLHNW-UHFFFAOYSA-N |
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| SMILES | C1([N+]([O-])=O)=CC=C(F)C=C1C |
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| CAS Datenbank | 446-33-3(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzene, 4-fluoro-2-methyl-1-nitro-(446-33-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (94%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 |
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| Zollcode | 29049085 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36-45-37-28A |
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| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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