HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α,α,α-Trifluor-p-toluidin
4-(TRIFLUOROMETHYL)ANILINE · aminobenzotrifluoride · TRIFLUOROMETHYLANILINE · -trifluoromethylaniline · 4-(Trifluoromethyl)benzenamine · 4-(Trifluoromethyl)aniline Hydroiodide · TIMTEC-BB SBB003956 · 4-aminobenzotrifluride
Identifikatoren & physikalische Daten
| CAS No. | 455-14-1 |
|---|---|
| Summenformel | C7H6F3N |
| Durchschnittliche Molmasse | 161,12 g/mol |
| Monoisotopische Masse | 161,04523385 g/mol |
| SMILES | Nc1ccc(C(F)(F)F)cc1 |
| InChIKey | ODGIMMLDVSWADK-UHFFFAOYSA-N |
| PubChem CID | 9964 |
| ChEMBL | CHEMBL1162294 |
| ChEBI | CHEBI:40750 |
| EC No. | 207-236-5 |
| DTXSID | DTXSID5060013 |
| Lokaler Name | α,α,α-Trifluor-p-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 124 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 3-8 °C |
| Siedepunkt | 83 °C12 mm Hg(lit.) |
| Dichte | 1.283 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.483(lit.) |
| Flammpunkt | 188 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)<0.1 g/100 mL |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 2.45(at 25℃) |
| Wichte | 1.283 |
| Farbe | Clear colorless to yellow |
| BRN | 1564853 |
| InChI | 1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 |
| InChIKey | ODGIMMLDVSWADK-UHFFFAOYSA-N |
| SMILES | Nc1ccc(cc1)C(F)(F)F |
| LogP (Verteilungskoeffizient) | 1.95 at 20℃ |
| CAS Datenbank | 455-14-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-(trifluoromethyl)-(455-14-1) |
| EPA chemische Informationen | 4-(Trifluoromethyl)aniline (455-14-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.9% (37 of 109) of reports.DangerH301 (66.1%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/121294-Aminobenzotrifluoride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (66.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29214300 |
| RTECS-Nr. | XU9260000 |
| R-Sätze (R) | 25-36-50/53-36/37/38-33-20/21/22 |
| Gefahrensymbole | T,N,Xi,Xn |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 26-45-60-61-36/37/39-36 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Substituted aniline derivatives exert special hematotoxicity on the red blood cells and induce leukocytosis.