HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-3-fluoranilin
BUTTPARK 44\01-95 · 2-CHLORO-3-FLUOROANILINE · 2-Chloro-3-fluoroaniline98% · 2-Chloro-3-fluoroaniline 98% · 2-chloro-3-fluorobenzeneamine · 2-Chloro-3-fluoroaniline, 97% · 2-Chloro-3-fluoroaniline, 95+% · (2-chloro-3-fluoro-phenyl)amine
Identifikatoren & physikalische Daten
| CAS No. | 21397-08-0 |
|---|---|
| Summenformel | C6H5ClFN |
| Durchschnittliche Molmasse | 145,56 g/mol |
| Monoisotopische Masse | 145,00945506 g/mol |
| SMILES | Nc1cccc(F)c1Cl |
| InChIKey | FJKIADFDXOCBRV-UHFFFAOYSA-N |
| PubChem CID | 88884 |
| EC No. | 244-366-1 |
| DTXSID | DTXSID30175659 |
| Lokaler Name | 2-Chlor-3-fluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,1 |
| Siedepunkt | 210.3±20.0 °C(Predicted) |
| Dichte | 1.349±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 1+-.0.10(Predicted) |
| Farbe | Clear, almost colourless (hint of lime) |
| InChI | InChI=1S/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2 |
| InChIKey | FJKIADFDXOCBRV-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=CC(F)=C1Cl |
| CAS Datenbank | 21397-08-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (20%): Combustible liquid [Warning Flammable liquids]P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (20%) |
| Zollcode | 2921420090 |
| R-Sätze (R) | 23/24/25 |
| Gefahrensymbole | Xi,T |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37/39-45 |
Anwendungen & Verwendung
Beschreibung
2-Chloro-3-fluoroaniline can be used as an intermediate for organic synthesis. 2-Chloro-3-fluoro nitrobenzene can be produced from 3-fluoro nitrobenzene by chlorination, and then 2-Chloro-3-fluoroaniline is obtained by reduction of nitro, and the reducing agent can be chosen from tin chloride and iron powder.