HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluor-N-methylanilin
4-FLUORO-N-TOLUIDINE · p-Fluoro-N-methylaniline · N-Methyl-4-fluoroaniline · 4-Fluoro-N-methylaniline · 4-FLUORO-N-METHYLANILINE 98% · 4-Fluoro-N-MethylbenzenaMine · 4-Fluoro-N-methylaniline ,98% · Benzenamine, 4-fluoro-N-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 459-59-6 |
|---|---|
| Summenformel | C7H8FN |
| Durchschnittliche Molmasse | 125,14 g/mol |
| Monoisotopische Masse | 125,06407748 g/mol |
| SMILES | CNc1ccc(F)cc1 |
| InChIKey | VLWRKVBQUANIGI-UHFFFAOYSA-N |
| PubChem CID | 68024 |
| EC No. | 207-294-1 |
| DTXSID | DTXSID3022033 |
| Lokaler Name | 4-Fluor-N-methylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 77 |
| SpringerMaterials Properties | Molecular structure |
| Siedepunkt | 79 °C/11 mmHg (lit.) |
| Dichte | 1.040 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5320(lit.) |
| Flammpunkt | 168 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.80±0.12(Predicted) |
| InChI | 1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3 |
| InChIKey | VLWRKVBQUANIGI-UHFFFAOYSA-N |
| SMILES | CNc1ccc(F)cc1 |
| EPA chemische Informationen | Benzenamine, 4-fluoro-N-methyl- (459-59-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.6%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29214300 |
| R-Sätze (R) | 22-37/38-41-43-52/53 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Fluoro-N-methylaniline was used as a model compound to study the in vivo and in vitro biotransformation of secondary aromatic amines.