CAS 721-37-9 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone (HCID 136559)

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Grundinformationen

CAS: 721-37-9
Standard-SMILES: O=C(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIKey: MDCHHRZBYSSONX-UHFFFAOYSA-N
Summenformel: C9H4F6O
Durchschnittliche Molmasse: 242,12 g/mol
Monoisotopische Masse: 242,01663407

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone
IUPAC: 2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
Englischer Name: 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone
Summenformel: C9H4F6O
Molmasse: 242.12

Namen und Synonyme

2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenoneRefChem:440491625-956-1721-37-92,2,2-Trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone2,2,2-Trifluoro-1-(3-(trifluoromethyl)phenyl)ethanoneMFCD000612752,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethan-1-one2,2,2-Trifluoro-1-(3-trifluoromethylphenyl)ethanoneCHEMBL865462,2,2-Trifluoro-3 inverted exclamation marka-(trifluoromethyl)acetophenone3-Trifluoromethyltrifluoroacetophenone

Weitere Namen anzeigen

3-TRIFLUOROMETHYL-A,A,A-TRIFLUOROACETOPHENONE2,2,2-Trifluoro-(trifluoroMethyl)acetophenone3-(Trifluoromethyl)phenyl(trifluoromethyl) ketone2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone97%2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone98%2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone 98%2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]-ethylone

3-(Trifluoromethyl)-alpha,alpha,alpha-trifluoroacetophenone2,2,2-trifluoro-1-(3-(trifluoromethyl)phenyl)ethan-1-one3-Trifluoromethyl-.alpha.,.alpha.,.alpha.-trifluoroacetophenoneNSC55520Ethanone, 2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]-SCHEMBL112328SCHEMBL20526132DTXSID00222422

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 266

Physikochemische Eigenschaften

Schmelzpunkt: 76 · 76-77 °C
Siedepunkt: 65 · 65-67 °C24 mm Hg(lit.)
Dichte: 1.418 g/mL · 1.418 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.415(lit.)
Flammpunkt: 139 °F · 139 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Farbe: Clear, almost colourless (hint of peach)
InChI: 1S/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H
InChIKey: MDCHHRZBYSSONX-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)c1cccc(c1)C(F)(F)F

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.