HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Trifluoromethylbenzyl chloride
1-(CHLOROMETHYL)-4-(TRIFLUOROMETHYL)BENZENE · TIMTEC-BB SBB006696 · 4-Trifluoromethylben · 4-Trifluormethylbenzyl chloride · 4-(Chloromethyl)benzotrifluoride · α'-chloro-α,α,α-trifluoro-p-xylene · à'-chloro-à,à,à-trifluoro-p-xylene · 4-(TRIFLUOROMETHYL)BENZYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 939-99-1 |
|---|---|
| Summenformel | C8H6ClF3 |
| Durchschnittliche Molmasse | 194,58 g/mol |
| Monoisotopische Masse | 194,01101253 g/mol |
| SMILES | FC(F)(F)c1ccc(CCl)cc1 |
| InChIKey | MCHDHQVROPEJJT-UHFFFAOYSA-N |
| PubChem CID | 123096 |
| EC No. | 627-519-0 |
| DTXSID | DTXSID20239870 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 136 |
| Schmelzpunkt | 19 °C |
| Siedepunkt | 68 °C12 mm Hg(lit.) |
| Dichte | 1.315 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.464(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 511085 |
| InChI | 1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2 |
| InChIKey | MCHDHQVROPEJJT-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(CCl)cc1 |
| CAS Datenbank | 939-99-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-(Trifluoromethyl)benzyl chloride may be used in the synthesis of novel series of dithiocarbamates, via reaction with sodium salts of N,N-disubstituted dithiocarbamic acids.