HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-2-fluoranilin
Benzenamine, 3-chloro-2-fluoro- · BUTTPARK 29\01-51 · TIMTEC-BB SBB004108 · Gefitinib Impurity 83 · 3-Chloro-2-fluoraniline · 3-CHLORO-2-FLUOROANILINE · 3-Chloro-2-fluoroaniline97% · 3-Chloro-2-fluoroaniline,98%
Identifikatoren & physikalische Daten
| CAS No. | 2106-04-9 |
|---|---|
| Summenformel | C6H5ClFN |
| Durchschnittliche Molmasse | 145,56 g/mol |
| Monoisotopische Masse | 145,00945506 g/mol |
| SMILES | Nc1cccc(Cl)c1F |
| InChIKey | XWBTZHDDWRNOQH-UHFFFAOYSA-N |
| PubChem CID | 75014 |
| EC No. | 218-283-6 |
| DTXSID | DTXSID0062183 |
| Lokaler Name | 3-Chlor-2-fluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| 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 | 214 °C (lit.) |
| Dichte | 1.324 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.564(lit.) |
| Flammpunkt | 230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 2.15±0.10(Predicted) |
| Wichte | 1.34 |
| Farbe | Colorless to Brown |
| InChI | InChI=1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2 |
| InChIKey | XWBTZHDDWRNOQH-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=CC(Cl)=C1F |
| CAS Datenbank | 2106-04-9(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Chloro-2-fluoroaniline (2106-04-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (96.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214200 |
| R-Sätze (R) | 36/37/38-20/21/22-41-37/38-22-23/24/25 |
| Gefahrensymbole | Xi,T,Xn |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36-36/37/39-39-45 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Chloro-2-fluoroaniline may be used in the preparation of 2-chloro-3-fluorobromobenzene and 4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate.