HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluoro-4-methylaniline
2-FLUORO-P-TOLUIDINE · 2-flu · NH2=1 · 2-fluoro-4-met · 2-fluoro-p-toluidin · TIMTEC-BB SBB006650 · 2-Fluoro-4-methylani · 2-FLUORO-PARATOLUIDINE
Identifikatoren & physikalische Daten
| CAS No. | 452-80-2 |
|---|---|
| Summenformel | C7H8FN |
| Durchschnittliche Molmasse | 125,14 g/mol |
| Monoisotopische Masse | 125,06407748 g/mol |
| SMILES | Cc1ccc(N)c(F)c1 |
| InChIKey | ZQEXBVHABAJPHJ-UHFFFAOYSA-N |
| PubChem CID | 67984 |
| EC No. | 610-237-7 |
| DTXSID | DTXSID40196431 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Schmelzpunkt | 3 °C |
| Siedepunkt | 70-71 °C/7 mmHg (lit.) |
| Dichte | 1.108 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.533(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 3+-.0.10(Predicted) |
| Farbe | Clear orange to orange-brown |
| Löslichkeit | Not miscible in water. |
| BRN | 2637578 |
| InChI | InChI=1S/C7H8FN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 |
| InChIKey | ZQEXBVHABAJPHJ-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(C)C=C1F |
| CAS Datenbank | 452-80-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.6%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (89.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29214300 |
| RTECS-Nr. | XU6650000 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Gefahrensymbole | T,Xi |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Fluoro-4-methylaniline is used in the preparation of 6-chloro-5-fluoroindole via Leimgruber-Batcho reaction. It is also used in the preparation of an (S)-amino alcohol, 2-amino-3-(2-fluoro-4-methylphenyl)-propan-1-ol.