HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluorophenyl isocyanate
1-Fluoro-2-isocyanatobenzene · 2-Flurophenyl isocyanate · 2-Isocyanatofluorobenzene · 2-Fluoroisocyanatobenzene · O-FLUOROPHENYL ISOCYANATE · 2-Fluorophenyl isocyanate · 2-Fluorophenyl Isocynaate · 2-Fluorophenylisocyanate97%
Identifikatoren & physikalische Daten
| CAS No. | 16744-98-2 |
|---|---|
| Summenformel | C7H4FNO |
| Durchschnittliche Molmasse | 137,11 g/mol |
| Monoisotopische Masse | 137,02769197 g/mol |
| SMILES | O=C=Nc1ccccc1F |
| InChIKey | VZNCSZQPNIEEMN-UHFFFAOYSA-N |
| PubChem CID | 85588 |
| EC No. | 240-804-0 |
| DTXSID | DTXSID70168287 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 154 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Siedepunkt | 56-58 °C |
| Dichte | 1.222 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5144(lit.) |
| Flammpunkt | 123 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly brown |
| BRN | 1210127 |
| InChI | 1S/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H |
| InChIKey | VZNCSZQPNIEEMN-UHFFFAOYSA-N |
| SMILES | Fc1ccccc1N=C=O |
| CAS Datenbank | 16744-98-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3080 6.1/PG 2 |
| Zollcode | 29291000 |
| R-Sätze (R) | 10-20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T |
| hazard_note | Toxic/Lachrymatory |
| Sicherheitshinweise (S) | 16-23-26-27-28-36/37/39 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Fluorophenyl isocyanate is a reagent used in the synthesis of wtRET and V804MRET inhibitors which may be used in the treatment of several neoplastic diseases and cancer treatments.