HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoranilin
3-Fluorobenzenamine · Benzenamine, 3-fluoro- · NSC 10300 · AKOS 91154 · 3-Fluoranilin · 3-fluoro-anilin · 3-FLUOROANILINE · M-FLUOROANILINE
Identifikatoren & physikalische Daten
| CAS No. | 372-19-0 |
|---|---|
| Summenformel | C6H6FN |
| Durchschnittliche Molmasse | 111,12 g/mol |
| Monoisotopische Masse | 111,04842741 g/mol |
| SMILES | Nc1cccc(F)c1 |
| InChIKey | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| PubChem CID | 9742 |
| ChEMBL | CHEMBL58888 |
| ChEBI | CHEBI:27873 |
| EC No. | 206-747-0 |
| DTXSID | DTXSID10190683 |
| Lokaler Name | 3-Fluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.3 |
| Schmelzpunkt | -2°C |
| Siedepunkt | 186 °C756 mm Hg(lit.) |
| Dichte | 1.156 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.542(lit.) |
| Flammpunkt | 171 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 8g/l (calculated)insoluble |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 3.5(at 25℃) |
| Wichte | 1.156 |
| Farbe | Clear yellow to brown |
| BRN | 1305471 |
| InChI | 1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| SMILES | Nc1cccc(F)c1 |
| CAS Datenbank | 372-19-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 3-fluoro-(372-19-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (11.8%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (11.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2941 6.1/PG 3 |
| Zollcode | 29214210 |
| RTECS-Nr. | BY1400000 |
| R-Sätze (R) | 22-37/38-41-36/38-33-23/24/25 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 26-36/39-37/39-45-36/37-28 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Fluoroaniline is used in the preparation of acetic acid-(3-fluoro-anilide by reacting with acetic acid anhydride. Further, it serves as a reagent in the preparation of radamide analogs as Grp94 inhibitors, which has potential to be antitumor agents.