HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α,α,α-Trifluor-p-tolylisocyanat
1-ISOCYANATO-4-(TRIFLUOROMETHYL)BENZENE · 4-ISOCYANATOBENZYLTRIFLUORIDE · P-TRIFLUOROMETHYLPHENYLISOCYANATE · à,à,à-trifluoro-p-tolyl isocyanate · α,α,α-trifluoro-p-tolyl isocyanate · 4-(TRIFLUOROMETHYL)PHENYL ISOCYABATE · 4-(Trifluoromethyl)phenyl isocyanate · p-Trifluoromethylphenylisocyanate,99%
Identifikatoren & physikalische Daten
| CAS No. | 1548-13-6 |
|---|---|
| Summenformel | C8H4F3NO |
| Durchschnittliche Molmasse | 187,12 g/mol |
| Monoisotopische Masse | 187,02449841 g/mol |
| SMILES | O=C=Nc1ccc(C(F)(F)F)cc1 |
| InChIKey | QZTWVDCKDWZCLV-UHFFFAOYSA-N |
| PubChem CID | 73768 |
| EC No. | 216-284-6 |
| DTXSID | DTXSID20935067 |
| Lokaler Name | α,α,α-Trifluor-p-tolylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 212 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 58.5°C |
| Siedepunkt | 58-59 °C10 mm Hg(lit.) |
| Dichte | 1.31 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.471 |
| Flammpunkt | 69 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| Farbe | colorless |
| Wichte | 1.31 |
| Löslichkeit | It hydrolyzes in water. |
| BRN | 881041 |
| CAS Datenbank | 1548-13-6(CAS DataBase Reference) |
| EPA chemische Informationen | Trifluoromethylphenyl isocyanate (1548-13-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 44.6% (37 of 83) of reports.DangerH302 (48.2%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (48.2%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3382 6.1/PG 1 |
| Zollcode | 29291090 |
| R-Sätze (R) | 20/21/22-36/37/38-42 |
| Gefahrensymbole | Xn,T |
| hazard_note | Toxic/Lachrymatory/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of fluorescent photoinduced electron transfer (PET) chemosensors and 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions. It has also been used in the synthesis of 1,8-naphthalimide based colorimetric and fluorescent sensor for anions.