HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluorphenylisocyanat
1-FLUORO-4-ISOCYANATOBENZENE · SB 01844 · NSC82348 · AKOS B022528 · ZINC00164841 · F14335_ALDRICH · EINECS 214-799-0 · 4-Fluorphenylisocyanat
Identifikatoren & physikalische Daten
| CAS No. | 1195-45-5 |
|---|---|
| Summenformel | C7H4FNO |
| Durchschnittliche Molmasse | 137,11 g/mol |
| Monoisotopische Masse | 137,02769197 g/mol |
| SMILES | O=C=Nc1ccc(F)cc1 |
| InChIKey | DSVGFKBFFICWLZ-UHFFFAOYSA-N |
| PubChem CID | 70955 |
| EC No. | 214-799-0 |
| DTXSID | DTXSID00152472 |
| Lokaler Name | 4-Fluorphenylisocyanat |
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 | 146 |
| Siedepunkt | 55 °C8 mm Hg(lit.) |
| Dichte | 1.206 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5141(lit.) |
| Flammpunkt | 127 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | Decomposes |
| BRN | 471609 |
| InChI | 1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | DSVGFKBFFICWLZ-UHFFFAOYSA-N |
| SMILES | Fc1ccc(cc1)N=C=O |
| CAS Datenbank | 1195-45-5(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, P272, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 1-10-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3080 6.1/PG 2 |
| Zollcode | 29291090 |
| R-Sätze (R) | 20/21/22-36-42-36/37/38-26 |
| Gefahrensymbole | Xn,T,C,T+ |
| hazard_note | Toxic/Corrosive/Lachrymatory/Moisture Sensitive |
| Sicherheitshinweise (S) | 23-26-36/37-45-38-28A |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Fluorophenyl isocyanate acts as a reagent in the preparation of tris-ureas as transmembrane anion transporters, solid phase combinatorial synthesis of peptides as integrin inhibitors.