HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Ethynyl-3-(trifluoromethyl)benzene
Toluene, m-ethenyl-alpha · 3-Ethynylbenzotrifluoride · 3-ethynyl-trifluorotoluene- · 3-Ethynyl-a,a,a-trifluorotoluene · 3-Ethynyl-α,α,α-trifluorotoluene · 3-(Trifluoromethyl)phenylacetylene · 1-Ethynyl-3-(trifluoromethyl)-benzene · Benzene, 1-ethynyl-3-(trifluoroMethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 705-28-2 |
|---|---|
| Summenformel | C9H5F3 |
| Durchschnittliche Molmasse | 170,13 g/mol |
| Monoisotopische Masse | 170,03433482 g/mol |
| SMILES | C#Cc1cccc(C(F)(F)F)c1 |
| InChIKey | PAHXLHWOHJTWRU-UHFFFAOYSA-N |
| PubChem CID | 2778490 |
| EC No. | 628-245-4 |
| DTXSID | DTXSID80380973 |
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 | 196 |
| Siedepunkt | 146 °C (lit.) |
| Dichte | 1.178 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.464(lit.) |
| Flammpunkt | 95 °F |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | liquid |
| Farbe | Lemon to lime |
| InChI | 1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H |
| InChIKey | PAHXLHWOHJTWRU-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cccc(c1)C#C |
| NIST chemische Informationen | 3-CF3-C6H4-CCH(705-28-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2902900000 |
| R-Sätze (R) | 10-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 16-26-36-45 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2 |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize:1-thioacetyl-4[3-trifluoromethyl-1-(ethynyl)phenyl]benzene4-{[4-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl]methyl}benzoic acid4-{4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}benzoic acid