HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluorbenzylamin
(4-Fluorophenyl)methanamine · P-FLUOROBENZYLAMINE · Benzylamine, p-fluoro- · NSC 158269 · AURORA KA-7685 · P-flubenzylamine · AKOS BBS-00003618 · RARECHEM AL BW 0026
Identifikatoren & physikalische Daten
| CAS No. | 140-75-0 |
|---|---|
| Summenformel | C7H8FN |
| Durchschnittliche Molmasse | 125,14 g/mol |
| Monoisotopische Masse | 125,06407748 g/mol |
| SMILES | NCc1ccc(F)cc1 |
| InChIKey | IIFVWLUQBAIPMJ-UHFFFAOYSA-N |
| PubChem CID | 67326 |
| ChEMBL | CHEMBL12392 |
| EC No. | 205-430-4 |
| DTXSID | DTXSID7059698 |
| Lokaler Name | 4-Fluorbenzylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 77 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Colorless or pale yellow liquid with an amine-like odor[Alfa Aesar MSDS] |
| Schmelzpunkt | 183 °C |
| Siedepunkt | 183 °C (lit.) |
| Dichte | 1.095 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.512(lit.) |
| Flammpunkt | 152 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 9.01±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.101.095 |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | Soluble in water. |
| BRN | 636501 |
| InChI | 1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | IIFVWLUQBAIPMJ-UHFFFAOYSA-N |
| SMILES | NCc1ccc(F)cc1 |
| CAS Datenbank | 140-75-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, 4-fluoro-(140-75-0) |
| EPA chemische Informationen | Benzenemethanamine, 4-fluoro- (140-75-0) |
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 60 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 15-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/179474-Fluorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See 4-Chlorobenzylamine. |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29214980 |
| R-Sätze (R) | 34-20/21/22 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-27-36/37/39-45-36/39 |
| Gefahrenklasse | 8Eye Dam. 1Met. Corr. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Fluorobenzylamine is used as a potassium channel blocking agent. It is used in the synthesis of new tris-iron(III) chelates of 3-hydroxy-4-pyridinone ligands. It reacts with the α- and γ-carboxyl groups of folic acid to yield 18F-labeled folate2. It is an important building block for the synthesis of 18F-labeled compounds.