HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-4-(trifluormethyl)anilin
3-CHLORO-4-(TRIFLUOROMETHYL)ANILINE · Sorafenib Impurity 138 · 4-Amino-2-chlorobenzotrifluoride · 4-Amino-2-chlorobenzotrifluoride 98+% · 3-Chloro-4-(trifluoromethyl)benzenamine · 3-Chloro-4-(trifluoromethyl)aniline,97% · [3-chloro-4-(trifluoromethyl)phenyl]amine · Benzenamine, 3-chloro-4-(trifluoromethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 445-13-6 |
|---|---|
| Summenformel | C7H5ClF3N |
| Durchschnittliche Molmasse | 195,57 g/mol |
| Monoisotopische Masse | 195,0062615 g/mol |
| SMILES | Nc1ccc(C(F)(F)F)c(Cl)c1 |
| InChIKey | KZAMRRANXJVDCD-UHFFFAOYSA-N |
| PubChem CID | 67962 |
| EC No. | 207-152-9 |
| DTXSID | DTXSID40196198 |
| Lokaler Name | 3-Chlor-4-(trifluormethyl)anilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Siedepunkt | 112-115 °C |
| Dichte | 1.425±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 1.71±0.10(Predicted) |
| Farbe | Faintly hazy khaki |
| InChI | InChI=1S/C7H5ClF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2 |
| InChIKey | KZAMRRANXJVDCD-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(C(F)(F)F)C(Cl)=C1 |
| CAS Datenbank | 445-13-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| UN-Transportnummer | 2810 |
| Zollcode | 2921420090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
3-Chloro-4-trifluoromethylaniline