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2,4-Dichlor-α,α,α-trifluortoluol
2,4-DICHLORO-1-(TRIFLUOROMETHYL)BENZENE · 2,4-DCBTF · 1,3-DICHLORO-4- · 2,4-Dichlorobenzotri · Sorafenib Impurity 140 · 4-Dichlorobenzotrifluoride · 2,4-Dichlorbenzotrifluorid · 2,4-dichloro-trifluoroMethyl
Identifikatoren & physikalische Daten
| CAS No. | 320-60-5 |
|---|---|
| Summenformel | C7H3Cl2F3 |
| Durchschnittliche Molmasse | 215 g/mol |
| Monoisotopische Masse | 213,95639012 g/mol |
| SMILES | FC(F)(F)c1ccc(Cl)cc1Cl |
| InChIKey | KALSHRGEFLVFHE-UHFFFAOYSA-N |
| PubChem CID | 9443 |
| ChEMBL | CHEMBL3185099 |
| EC No. | 206-278-1 |
| DTXSID | DTXSID0047959 |
| Lokaler Name | 2,4-Dichlor-α,α,α-trifluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 157 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dampfdruck | 1.11 [mmHg]1.48hPa at 25℃ |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -26°C |
| Siedepunkt | 117-118 °C (lit.) |
| Dichte | 1.484 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.481(lit.) |
| Flammpunkt | 162 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), DMSO (Slightly)8.67mg/L at 25℃ |
| Aggregatzustand | Liquid |
| Wichte | 1.484 |
| Farbe | Clear colorless |
| BRN | 2098743 |
| InChI | 1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H |
| InChIKey | KALSHRGEFLVFHE-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(Cl)cc1Cl |
| LogP (Verteilungskoeffizient) | 4.24 |
| CAS Datenbank | 320-60-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 2,4-dichloro-1-(trifluoromethyl)-(320-60-5) |
| EPA chemische Informationen | 2,4-Dichlorobenzotrifluoride (320-60-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 2,4-dichloro-1-(trifluoromethyl)-Status: Cease Manufacture Update: 29-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6737 |
| Gefahrenübersicht | Causes somnolence, tremor, and dyspnea in oral lethal-dose studies of ratsCauses dermatitis in dermal lethal-dose studies of rabbits (lethal-dose > 10,000 mg/kg)[RTECS] An irritant[ECHA REACH Registrations] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (97.9%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29039990 |
| RTECS-Nr. | CZ5566877 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Aquatic Chronic 4Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4-Dichlorobenzotrifluoride (2,4-Dichloro-α,α,α-trifluorotoluene ) was one of the compounds present in Niagara River fish identified by gas-liquid chromatographic-mass spectrometry.