HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-5-fluoroaniline
2-CHLORO-5-FLUOROANILINE · 5-FLUORO-2-CHLOROANILINE · Chlorofluoroaniline 25--- · 2-Chloro-5-fluoroaniline97% · 2-Chloro-5-fluoroaniline >2-Chloro-5-fluorobenzenamine · 2-Chloro-5-fluoroaniline 97% · 2-Chloro-5-fluorobenzeneamine · 2-CHLORO-5-FLUORO-PHENYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 452-83-5 |
|---|---|
| Summenformel | C6H5ClFN |
| Durchschnittliche Molmasse | 145,56 g/mol |
| Monoisotopische Masse | 145,009455 g/mol |
| SMILES | Nc1cc(F)ccc1Cl |
| InChIKey | VWUFOZAFKYOZJB-UHFFFAOYSA-N |
| PubChem CID | 2736509 |
| EC No. | 610-238-2 |
| DTXSID | DTXSID90371413 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,1 |
| Schmelzpunkt | 26°C |
| Siedepunkt | 211°C |
| Dichte | 1.349±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5560 |
| Flammpunkt | 211°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 1+-.0.10(Predicted) |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | Insoluble in water. |
| InChI | InChI=1S/C6H5ClFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2 |
| InChIKey | VWUFOZAFKYOZJB-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(F)=CC=C1Cl |
| CAS Datenbank | 452-83-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (25%): 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (25%) |
| UN-Transportnummer | UN2811 |
| Zollcode | 29214200 |
| R-Sätze (R) | 20/21/22-36/37/38-23/24/25-22-36/38-33 |
| Gefahrensymbole | T,Xn |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36/37/39-45-36/37-28 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-fluoroaniline is used as a pharmaceutical intermediate.