HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(Chlormethyl)-2-(trifluormethyl)benzol
TIMTEC-BB SBB006695 · α'-chloro-α,α,α-trifluoro-o-xylene · à'-chloro-à,à,à-trifluoro-o-xylene · o-(Trifluoromethyl)Benzyl Chloride · 2-(TRIFLUOROMETHYL)BENZYL CHLORIDE · o-Xylene, a'-chloro-a,a,a-trifluoro- · 2-(Trifluoromethyl)benzylchloride97% · 2-(Trifluoromethyl)benzyl chloride 97%
Identifikatoren & physikalische Daten
| CAS No. | 21742-00-7 |
|---|---|
| Summenformel | C8H6ClF3 |
| Durchschnittliche Molmasse | 194,58 g/mol |
| Monoisotopische Masse | 194,01101253 g/mol |
| SMILES | FC(F)(F)c1ccccc1CCl |
| InChIKey | BBXDMCQDLOCXRA-UHFFFAOYSA-N |
| PubChem CID | 89028 |
| EC No. | 244-560-6 |
| DTXSID | DTXSID20176135 |
| Lokaler Name | 1-(Chlormethyl)-2-(trifluormethyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 144 |
| Siedepunkt | 67-68°C 12mm |
| Dichte | 1.337 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.469(lit.) |
| Flammpunkt | 158 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.337 |
| BRN | 389380 |
| InChI | 1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2 |
| InChIKey | BBXDMCQDLOCXRA-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccccc1CCl |
| CAS Datenbank | 21742-00-7(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 46 reports by companies from 6 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 | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-(Trifluoromethyl)benzyl chloride is used in preparation of phenyl-substituted carboxylic acid derivatives as PAI-1 inhibitors.