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2,4,5-Trifluorobenzyl Chloride
CAS:243139-71-1 · Sitagliptin Impurity 70 · 2,4,5-TRIFLUOROBENZYL CHORIDE · 2,4,5-TRIFLUOROBENZYL CHLORIDE · alpha-Chloro-2,4,5-trifluorotoluene · Benzene, 1-(chloromethyl)-2,4,5-trifluoro- · Benzene, 1-(chloromethyl)-2,4,5-trifluoro- (9CI) · 1-(Chloromethyl)-2,4,5-trifluorobenzene, alpha-Chloro-2,4,5-trifluorotoluene
Identifikatoren & physikalische Daten
| CAS No. | 243139-71-1 |
|---|---|
| Summenformel | C7H4ClF3 |
| Durchschnittliche Molmasse | 180,55 g/mol |
| Monoisotopische Masse | 179,9953623 g/mol |
| SMILES | Fc1cc(F)c(CCl)cc1F |
| InChIKey | JMXPOOVDUVHJRO-UHFFFAOYSA-N |
| PubChem CID | 2777063 |
| EC No. | 671-774-0 |
| DTXSID | DTXSID00380359 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 131 |
| Siedepunkt | 175℃ |
| Dichte | 1,689 g/cm3 |
| Brechungsindex | 1.5050 |
| Flammpunkt | 65°C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| InChI | InChI=1S/C7H4ClF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2 |
| InChIKey | JMXPOOVDUVHJRO-UHFFFAOYSA-N |
| SMILES | C1(CCl)=CC(F)=C(F)C=C1F |
| CAS Datenbank | 243139-71-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (16.7%) |
| UN-Transportnummer | 3265 |
| Zollcode | 2903998090 |
| R-Sätze (R) | 34-36/37/38-20/21/22 |
| Gefahrensymbole | C,Xn |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-36 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
2,4,5-Trifluorobenzyl chloride is a useful research chemical.