HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-2-methoxybenzotrifluoride
TIMTEC-BB SBB002596 · 3-Amino-6-methoxybenzotriflo · 3-TRIFLUOROMETHYL-P-ANISIDINE · 3-Amino-6-methoxybenzotrifloride · 4-Amino-2-trifluoromethylanisole · 3-AMINO-6-METHOXYBENZOTRIFLUORIDE · 3-Amino-6-methoxybenzotriflyoride · 5-AMINO-2-METHOXYBENZOTRIFLUORIDE
Identifikatoren & physikalische Daten
| CAS No. | 393-15-7 |
|---|---|
| Summenformel | C8H8F3NO |
| Durchschnittliche Molmasse | 191,15 g/mol |
| Monoisotopische Masse | 191,05579854 g/mol |
| SMILES | COc1ccc(N)cc1C(F)(F)F |
| InChIKey | CQJCPOVTPNWVBW-UHFFFAOYSA-N |
| PubChem CID | 600705 |
| EC No. | 670-719-8 |
| DTXSID | DTXSID60344957 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 28 °C |
| Siedepunkt | 112 °C |
| Dichte | 1.280±0.06 g/cm3(Predicted) |
| Flammpunkt | 112°C/18mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 3.98±0.10(Predicted) |
| BRN | 2723972 |
| InChI | InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3 |
| InChIKey | CQJCPOVTPNWVBW-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(OC)C(C(F)(F)F)=C1 |
| CAS Datenbank | 393-15-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (85.7%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 2922290090 |
| R-Sätze (R) | 20/21/22-36/37/38-52-22 |
| Gefahrensymbole | Xi,T,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralAquatic Chronic 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Methoxy-3-(trifluoromethyl)aniline is a fluorinated aniline derivative used as a pharmaceutical intermediate for the synthesis of antibacterial and antiparasitic quinoxaline-2,3-diamine derivatives.