1-[4-(Trifluormethyl)phenyl]ethan-1-on

1-(4-(Trifluoromethyl)phenyl)ethan-1-one

HCID 69731CAS 709-63-7

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(C(F)(F)F)cc1
InChIKey: HHAISVSEJFEWBZ-UHFFFAOYSA-N
Summenformel: C9H7F3O
Durchschnittliche Molmasse: 188,15 g/mol
Monoisotopische Masse: 188,04489933

Namen und Bezeichner

Bevorzugter Name: 1-(4-(Trifluoromethyl)phenyl)ethan-1-one
IUPAC: 1-[4-(trifluoromethyl)phenyl]ethanone
Lokaler Name: 1-[4-(Trifluormethyl)phenyl]ethan-1-on
Englischer Name: 4'-(Trifluoromethyl)acetophenone
Summenformel: C9H7F3O
Molmasse: 188.15

Namen und Synonyme

1-[4-(Trifluoromethyl)phenyl]ethan-1-one1-(4-(Trifluoromethyl)phenyl)ethan-1-oneEINECS 211-913-0DTXSID80221130NSC 88346RefChem:424558DTXCID80143621211-913-0709-63-74'-(Trifluoromethyl)acetophenone1-(4-(trifluoromethyl)phenyl)ethanone1-[4-(Trifluoromethyl)phenyl]ethanone

Weitere Namen anzeigen

1-(4-Trifluoromethyl-phenyl)-ethanone4-Acetylbe4-ACETYLBENZOFLUORIDEOn the trifluoroMethyl4-(trifluromethyl)acetophenone4-TRIFLUOROMETHYL BENZYLDEHYDE

4-(Trifluoromethyl)acetophenone4-Acetylbenzotrifluoridep-TrifluoromethylacetophenoneMFCD00000401Ethanone, 1-[4-(trifluoromethyl)phenyl]-4-Trifluoromethylacetophenone4'-trifluoromethylacetophenoneTZ2PGR8637

Datenbank-Bezeichner

CAS: 709-63-7
PubChem CID: 69731
DTXSID: DTXSID80221130
UNII: TZ2PGR8637
EC Number: 211-913-0
Nikkaji: J193.080J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 30 · 30-33 °C(lit.)
Siedepunkt: 79 · 79-80 °C8 mm Hg(lit.)
Dichte: 0.92 · 0.92
Brechungsindex: 1.4604 · 1.4604
Flammpunkt: 184 °F · 184 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Low Melting Solid
Farbe: White to faintly yellow
BRN: 1870425 · 1870425
InChI: 1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3
InChIKey: HHAISVSEJFEWBZ-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)C(F)(F)F
CAS Datenbank: 709 · 709-63-7(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-CF3-C6H4-COCH3(709-63-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.