2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone

HCID 144683

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Grundinformationen

CAS: 74853-66-0
Standard-SMILES: O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIKey: ZERSWRKHUIMRSN-UHFFFAOYSA-N
Summenformel: C9H4F6O
Durchschnittliche Molmasse: 242,12 g/mol
Monoisotopische Masse: 242,01663407

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone
IUPAC: 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanone
Englischer Name: 4-(TRIFLUOROMETHYL)-ALPHA,ALPHA,ALPHA-TRIFLUOROACETOPHENONE
Summenformel: C9H4F6O
Molmasse: 242.12

Namen und Synonyme

2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone2,2,2-Trifluoro-1-[4-(trifluoromethyl)phenyl]ethanone2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenoneRefChem:440492633-299-774853-66-04-(Trifluoromethyl)-alpha,alpha,alpha-trifluoroacetophenoneMFCD000612762,2,2-trifluoro-1-(4-(trifluoromethyl)phenyl)ethan-1-one2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethanone2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethan-1-onePS-11192

Weitere Namen anzeigen

4'-trifluoromethyl-2,2,2-trifluoroacetophenone4-(Trifluoromethyl)-α,α,α-trifluoroacetophenone2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone98%2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone 98%2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)etanone2,2,2-TRIFLUORO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE4-(Trifluoromethyl)-α,α,α-trifluoroaecetophenone, 98%

4-Trifluoromethyl-.alpha.,.alpha.,.alpha.-trifluoroacetophenone4-(Trifluoromethyl)-A,A,A-trifluoroacetophenone4-Trifluoromethyl-alpha,alpha,alpha-trifluoroacetophenoneAMY19073Ethanone, 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]-A838243SCHEMBL1078685DTXSID20225819

Datenbank-Bezeichner

CAS: 74853-66-0
PubChem CID: 144683
DTXSID: DTXSID20225819
EC Number: 633-299-7
Nikkaji: J267.437H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 258

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Siedepunkt: 75 °C · 75°C 20mm
Dichte: 1.417 · 1.417±0.06 g/cm3(Predicted)
Brechungsindex: 1.415 · 1.415
Flammpunkt: 55 · 55
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: liquid
Farbe: Almost colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

ridadr: 1993
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant/Lachrymator
safety_code: 26-36/37/39-37/39-24/25
hazard_class: 3.2
packing_group: III

Chemie und Industrie

Anwendungen

Verwenden2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone can be used in the synthesis of tetrahydropyranones through catalytic enantioselective oxa-hetero-Diels-Alder reactions of enones with aryl trifluoromethyl ketones.