HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Ethynyl-2-(trifluoromethyl)benzene
alpha-trifluorotoluene · 2-Ethynyl-alpha · 2-ETHYNYL-ALPHA,ALPHA,ALPHA- & · 2-Ethynyl-α,α,α-trifluorotoluene · 2'-Trifluoromethylphenyl acetylene · Benzene, 1-ethynyl-2-(trifluoroMethyl)- · 1-Ethynyl-2-(trifluoromethyl)benzene,97% · 2-ETHYNYL-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 704-41-6 |
|---|---|
| Summenformel | C9H5F3 |
| Durchschnittliche Molmasse | 170,13 g/mol |
| Monoisotopische Masse | 170,03433465 g/mol |
| SMILES | C#Cc1ccccc1C(F)(F)F |
| InChIKey | OOZKONVIIMFOKW-UHFFFAOYSA-N |
| PubChem CID | 4100856 |
| ChEMBL | CHEMBL232546 |
| EC No. | 626-533-4 |
| DTXSID | DTXSID70399317 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 196 |
| Siedepunkt | 45 °C8 mm Hg(lit.) |
| Dichte | 1.222 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4760(lit.) |
| Flammpunkt | 78 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Sparingly soluble in water. |
| InChI | InChI=1S/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H |
| InChIKey | OOZKONVIIMFOKW-UHFFFAOYSA-N |
| SMILES | C1(C#C)=CC=CC=C1C(F)(F)F |
| CAS Datenbank | 704-41-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2902900000 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-(Trifluoromethyl)phenylacetylene is used as pharmaceutical intermediate.