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HCID 522821Erstellt: 26. Oktober 2026

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

TrifluoroMethoxy acetophenone · 4-(TRIFLUOROMETHOXY)ACETOPHENONE · P-(TRIFLUOROMETHOXY)ACETOPHENONE · 4'-(Trifluoromethoxy)acetophenone · 4-(TRIFLUOROMETHYLOXY)ACETOPHENONE · 4'-(Trifluoromethoxy)acetophenone98% · 4'-(Trifluoromethoxy)acetophenone 98% · 1-(4-Trifluoromethoxy-phenyl)-ethanone

https://huagongshe.com/de/chemical/522821

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

Identifikatoren & physikalische Daten

CAS No.85013-98-5
SummenformelC9H7F3O2
Durchschnittliche Molmasse204,15 g/mol
Monoisotopische Masse204,03981395 g/mol
SMILESCC(=O)c1ccc(OC(F)(F)F)cc1
InChIKeyMOEXTBIPPMLEFX-UHFFFAOYSA-N
PubChem CID522821
EC No.285-066-0
DTXSIDDTXSID10234076

Chemische & physikalische Eigenschaften

XLogP3
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren5
Frei drehbare Bindungen2
Schwere Atome14
Formalladung0
Komplexität205
Siedepunkt100 °C
Dichte1.278 g/mL at 25 °C(lit.)
Brechungsindexn20/D 1.455(lit.)
Flammpunkt190 °F
LagerbedingungenSealed in dry,Room Temperature
AggregatzustandCrystalline Powder
Wichte1.278
FarbeYellow to light brown
BRN5930486
InChI1S/C9H7F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3
InChIKeyMOEXTBIPPMLEFX-UHFFFAOYSA-N
SMILESCC(=O)c1ccc(OC(F)(F)F)cc1
CAS Datenbank85013-98-5(CAS DataBase Reference)
NIST chemische InformationenEthanone, 1-[4-(trifluoromethoxy)phenyl]-(85013-98-5)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (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 exposureRespiratory 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.
Hazard Classes and CategoriesAcute Tox. 4 (40%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (80%)
Wassergefährdungsklasse (WGK)3
Zollcode29147000
R-Sätze (R)36/37/38-22
GefahrensymboleXi
Sicherheitshinweise (S)26-36/37/39-23-37/39
GefahrenklasseIRRITANT
Lagerklasse10 - Combustible liquids