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p-(Trifluormethoxy)phenylisocyanat
4-(trifluoroMethoxy)ph · 4-(Trifluoromethoxy)phenyl isocyate · 4-(Trifluoromethoxy)phenylisocynate · 4-(trifluoromethoxy)phnyl isocyanate · 4-(Trifluoromethoxy)benzenisocyanate · 4-(TRIFLUOROMETHOXY)PHENYL ISOCYANATE · p-(trifluoromethoxy)phenyl isocyanate · 1-ISOCYANATO-4-TRIFLUOROMETHOXY-BENZENE
Identifikatoren & physikalische Daten
| CAS No. | 35037-73-1 |
|---|---|
| Summenformel | C8H4F3NO2 |
| Durchschnittliche Molmasse | 203,12 g/mol |
| Monoisotopische Masse | 203,01941303 g/mol |
| SMILES | O=C=Nc1ccc(OC(F)(F)F)cc1 |
| InChIKey | LGPKFIGMLPDYEA-UHFFFAOYSA-N |
| PubChem CID | 92298 |
| EC No. | 252-328-0 |
| DTXSID | DTXSID1067883 |
| Lokaler Name | p-(Trifluormethoxy)phenylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 227 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| Physical Description | Liquid |
| Schmelzpunkt | -29°C |
| Siedepunkt | 78 °C (22 mmHg) |
| Dichte | 1.346 g/mL at 25 °C(lit.) |
| Dampfdruck | 1.42hPa at 25℃ |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | 158 °F |
| Lagerbedingungen | Refrigerator (+4°C) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | Reacts with water. |
| BRN | 977669 |
| LogP (Verteilungskoeffizient) | 2.12 |
| CAS Datenbank | 35037-73-1(CAS DataBase Reference) |
| EPA chemische Informationen | 4-(Trifluoromethoxy)phenyl isocyanate (35037-73-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.9%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-isocyanato-4-(trifluoromethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-isocyanato-4-(trifluoromethoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 14-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5560 |
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2206 6.1/PG 3 |
| Zollcode | 29291090 |
| R-Sätze (R) | 20/21/22-36/37/38-42 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37-22 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-(Trifluoromethoxy)phenyl Isocyanate is a reactant in the synthesis of 4-aryl-7-hydroxyindoline-based P2Y1 antagonists as novel antiplatelet agents.