556432

4-Ethynyl-α,α,α-trifluorotoluene

97%

• Sinonimo/i: 1-Ethynyl-4-(trifluoromethyl)benzen, 1-Ethynyl-4-(trifluoromethyl)benzene, 1-Trifluoromethyl-4-ethynylbenzene, 4-(Trifluoromethyl)phenylacetylene, 4-Ethynyl(trifluoromethyl)benzene, 4-Ethynyl-trifluorotoluene, 4-Trifluorophenylacetylene, [4-(Trifluoromethyl)phenyl]ethyne, p-(Trifluoromethyl)phenylacetylene
• Formula condensata: HC≡CC₆H₄CF₃
• Numero CAS: 705-31-7
• Peso molecolare: 170.13
• Numero MDL: MFCD01861903
• Codice UNSPSC: 12352100
• ID PubChem: 24879557
• NACRES: NA.22

Proprietà

• Livello qualitativo: 100
• Saggio: 97%
• Indice di rifrazione: n20/D 1.4650 (lit.)
• P. ebollizione: 78-80 °C/2 mmHg (lit.)
• Densità: 1.043 g/mL at 25 °C (lit.)
• Gruppo funzionale: fluoro
• Stringa SMILE: FC(F)(F)c1ccc(cc1)C#C
• InChI: 1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H; XTKBMZQCDBHHKY-UHFFFAOYSA-N

Descrizione

Descrizione generale

4-Ethynyl-α,α,α-trifluorotoluene reacts with ethanol to afford the corresponding α,β-alkynyl ester.[1] 4-Ethynyl-α,α,α-trifluorotoluene plays the role of a functionalized alkyne in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction on BrPP thin films.[2]

Applicazioni

4-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize the following:

• 6,13-bis(4-trifluoromethylphenylethynyl)pentacene[3]
• 1,2-dialkynylimidazoles[4]
• trans-[Co(cyclam)(p-CCC₆H₄CF₃)₂]OTf complex (where cyclam - 1,4,8,11-tetraazacyclotetradecane; 4-ethynyl-α,α,α-trifluorotoluene - p-CCC₆H₄CF₃; OTf- trifluoromethane sulfonate)[5]
• 3-spiroazetidinimine-2-oxindoles[6]

Used to synthesize self-assembled monolayers (SAMs).[7]

Informazioni sulla sicurezza

• Pittogrammi: GHS02
• Avvertenze: Danger
• Indicazioni di pericolo: H225
• Consigli di prudenza: P210
• Classi di pericolo: Flam. Liq. 2
• Codice della classe di stoccaggio: 3 - Flammable liquids
• Classe di pericolosità dell'acqua (WGK): WGK 3
• Punto d’infiammabilità (°F): 69.1 °F - closed cup
• Punto d’infiammabilità (°C): 20.6 °C - closed cup
• Dispositivi di protezione individuale: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter