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2-(Trifluormethoxy)anilin
2-(Trifluoromethoxy) · 2-TRIFLUOROMETHOXY-PHENYLAMINE · 2-(Trifluoromethoxy)benzenamine · CL056 · O-Aminotrifluorome · TIMTEC-BB SBB006602 · TrifluoroMethoxy)anilin · 2-(TrifloroMethoxy)aniline
Identifikatoren & physikalische Daten
| CAS No. | 1535-75-7 |
|---|---|
| Summenformel | C7H6F3NO |
| Durchschnittliche Molmasse | 177,12 g/mol |
| Monoisotopische Masse | 177,04014847 g/mol |
| SMILES | Nc1ccccc1OC(F)(F)F |
| InChIKey | ZFCOUBUSGHLCDT-UHFFFAOYSA-N |
| PubChem CID | 73754 |
| EC No. | 216-257-9 |
| DTXSID | DTXSID20165342 |
| Lokaler Name | 2-(Trifluormethoxy)anilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 148 |
| Siedepunkt | 61-63 °C (15 mmHg) |
| Dichte | 1,301 g/cm3 |
| Brechungsindex | 1.4614-1.4634 |
| Flammpunkt | 54°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| pKa (Säurekonstante) | 2.45±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.31 |
| Farbe | Clear colorless to yellow |
| BRN | 2803814 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C7H6F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2 |
| InChIKey | ZFCOUBUSGHLCDT-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=CC=C1OC(F)(F)F |
| CAS Datenbank | 1535-75-7(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-(trifluoromethoxy)-(1535-75-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (89.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (89.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29222990 |
| R-Sätze (R) | 36/37/38-20/21/22-10 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 36/37/39-26-45-16-36 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-(Trifluoromethoxy)aniline may be used in the preparation of 2-amino-6-(trifluoromethoxy)benzothiazole (SKA-35).