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

HCID 522821

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Grundinformationen

CAS: 85013-98-5
Standard-SMILES: CC(=O)c1ccc(OC(F)(F)F)cc1
InChIKey: MOEXTBIPPMLEFX-UHFFFAOYSA-N
Summenformel: C9H7F3O2
Durchschnittliche Molmasse: 204,15 g/mol
Monoisotopische Masse: 204,03981395

Namen und Bezeichner

Bevorzugter Name: 1-(4-(Trifluoromethoxy)phenyl)ethan-1-one
IUPAC: 1-[4-(trifluoromethoxy)phenyl]ethanone
Englischer Name: 4'-(Trifluoromethoxy)acetophenone
Summenformel: C9H7F3O2
Molmasse: 204.15

Namen und Synonyme

4'-(Trifluoromethoxy)acetophenone1-(4-(trifluoromethoxy)phenyl)ethanone1-[4-(trifluoromethoxy)phenyl]ethanone1-[4-(trifluoromethoxy)phenyl]ethan-1-one1-(4-(Trifluoromethoxy)phenyl)ethan-1-oneEthanone, 1-[4-(trifluoromethoxy)phenyl]-0Q4W8V7RF6UNII-0Q4W8V7RF6EINECS 285-066-0DTXSID10234076ETHANONE, 1-(4-(TRIFLUOROMETHOXY)PHENYL)-RefChem:74398

Weitere Namen anzeigen

TrifluoroMethoxy acetophenoneP-(TRIFLUOROMETHOXY)ACETOPHENONE4-(TRIFLUOROMETHYLOXY)ACETOPHENONE4'-(Trifluoromethoxy)acetophenone98%4'-(Trifluoromethoxy)acetophenone 98%4'-(TrifluoroMethoxy)acetophenone, 97+%1-[4-(TrifluoroMethoxy)phenyl]-1-ethanone

DTXCID10156567285-066-085013-98-54'-Trifluoromethoxyacetophenone4-(Trifluoromethoxy)acetophenoneMFCD000424041-(4-Trifluoromethoxy-phenyl)-ethanone4-trifluoromethoxyacetophenone

Datenbank-Bezeichner

CAS: 85013-98-5
PubChem CID: 522821
DTXSID: DTXSID10234076
UNII: 0Q4W8V7RF6
EC Number: 285-066-0
Nikkaji: J309.591F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 205

Physikochemische Eigenschaften

Siedepunkt: 100 °C · 100 °C
Dichte: 1.278 g/mL · 1.278 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.455(lit.)
Flammpunkt: 190 °F · 190 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
Wichte: 1.278 · 1.278
Farbe: Yellow to light brown
BRN: 5930486 · 5930486
InChI: 1S/C9H7F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3
InChIKey: MOEXTBIPPMLEFX-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(OC(F)(F)F)cc1
CAS Datenbank: 85013 · 85013-98-5(CAS DataBase Reference)
NIST chemische Informationen: 1 · Ethanone, 1-[4-(trifluoromethoxy)phenyl]-(85013-98-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 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.