HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-4-fluorobenzylamine
(2-CHLORO-4-FLUOROPHENYL)METHANAMINE · RARECHEM AL BW 0478 · 2-Chloro-4-Florobenzylamine · 2-Chloro-4-fluorobenzylamine · 2-Chloro-4-fluorobenzylamine97% · 2-Chloro-4-fluorobenzylamine 97% · (2-Chloro-4-fluorophenyl)methylamine · Benzenemethanamine, 2-chloro-4-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 15205-11-5 |
|---|---|
| Summenformel | C7H7ClFN |
| Durchschnittliche Molmasse | 159,59 g/mol |
| Monoisotopische Masse | 159,02510512 g/mol |
| SMILES | NCc1ccc(F)cc1Cl |
| InChIKey | CBKWAXKMZUULLO-UHFFFAOYSA-N |
| PubChem CID | 139909 |
| EC No. | 670-919-5 |
| DTXSID | DTXSID10164945 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Schmelzpunkt | 172-173 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Siedepunkt | 94 °C |
| Dichte | 1.270±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.535 |
| Flammpunkt | >110°C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 8.46±0.10(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Clear, colourless |
| BRN | 2936421 |
| InChI | InChI=1S/C7H7ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H,4,10H2 |
| InChIKey | CBKWAXKMZUULLO-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=C(F)C=C1Cl |
| CAS Datenbank | 15205-11-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| UN-Transportnummer | 2735 |
| Zollcode | 2921490090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-chloro-4-fluorobenzylamine is employed to react with 1-(2-nitrophenyl)pyrrole derivatives to synthesize the corresponding pyrrolo[1,2-a]quinoxaline derivatives.1