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1-(Chlormethyl)-3,5-bis(trifluormethyl)benzol
3,5-Bis(trifluoromethyl)benzyl choride · 3,5-DI(TRIFLUOROMETHYL)BENZYL CHLORIDE · 3,5-BIS(TRIFLUOROMETHYL)BENZYL CHLORIDE · 3,5-Bis(trifluoromethyl)benzylchloride99% · 3,5-Bis(trifluoromethyl)benzyl Chloride >3,5-Bis(trifluoromethyl)benzyl chloride 99% · 1-CHLOROMETHYL-3,5-BIS(TRIFLUOROMETHYL)BENZENE · 3,5-Bis(trifluoromethyl)-1-(chloromethyl)benzene · Benzene, 1-(chloromethyl)-3,5-bis(trifluoromethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 75462-59-8 |
|---|---|
| Summenformel | C9H5ClF6 |
| Durchschnittliche Molmasse | 262,58 g/mol |
| Monoisotopische Masse | 261,99839716 g/mol |
| SMILES | FC(F)(F)c1cc(CCl)cc(C(F)(F)F)c1 |
| InChIKey | OINTXXMBRBLMHH-UHFFFAOYSA-N |
| PubChem CID | 123576 |
| EC No. | 278-216-1 |
| DTXSID | DTXSID90226393 |
| Lokaler Name | 1-(Chlormethyl)-3,5-bis(trifluormethyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 211 |
| Schmelzpunkt | 29-32 °C(lit.) |
| Siedepunkt | 46°C 3mm |
| Dichte | 1.4425 (estimate) |
| Flammpunkt | 161 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | powder to lump |
| Farbe | White to Almost white |
| Löslichkeit | Slightly soluble in water. |
| BRN | 656502 |
| InChI | InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2 |
| InChIKey | OINTXXMBRBLMHH-UHFFFAOYSA-N |
| SMILES | C(Cl)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 |
| CAS Datenbank | 75462-59-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3,5-Bis(trifluoromethyl)benzyl chloride(75462-59-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): 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 48 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,5-Bis(trifluoromethyl)benzyl chloride has been used in the preparation of 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene. 1-(azidomethyl)-3,5-bis-(trifluoromethyl)benzene, in 94% yield by an efficient nucleophilic substitution reaction between 3,5-bis-(trifluoromethyl)benzyl chloride, 4, and sodium azide.