HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Fluor-3-nitrobenzol
3-FLUORONITROBENZENE · M-FLUORONITROBENZENE · 3-Fluornitrobenzol · Fluoronitrobenzene2 · 3-Fluoronirobenzene · uoro-3-nitrobenzene · Afatinib Impurity Z · M-NITROFLUOROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 402-67-5 |
|---|---|
| Summenformel | C6H4FNO2 |
| Durchschnittliche Molmasse | 141,1 g/mol |
| Monoisotopische Masse | 141,02260659 g/mol |
| SMILES | O=[N+]([O-])c1cccc(F)c1 |
| InChIKey | WMASLRCNNKMRFP-UHFFFAOYSA-N |
| PubChem CID | 9823 |
| ChEMBL | CHEMBL164634 |
| EC No. | 206-953-0 |
| DTXSID | DTXSID20193201 |
| Lokaler Name | 1-Fluor-3-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 134 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 1.7 °C (lit.) |
| Siedepunkt | 205 °C (lit.) |
| Dichte | 1.325 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.525(lit.) |
| Flammpunkt | 170 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | clear liquid |
| Wichte | 1.325 |
| Farbe | green-yellow |
| Löslichkeit | immiscible |
| BRN | 1862210 |
| InChI | InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H |
| InChIKey | WMASLRCNNKMRFP-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=CC([N+]([O-])=O)=C1 |
| CAS Datenbank | 402-67-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-fluoro-3-nitro-(402-67-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1-Fluoro-3-nitrobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 2 |
| Zollcode | 29049085 |
| R-Sätze (R) | 23/24/25-33-20/21/22 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 36/37-45-36 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
1-Fluoro-3-nitrobenzene is a di-substitiuted benzene derivative used for the synthesis of fluoroaromatic compounds through fluorodenitration and other pharmaceuticals.