p-Trifluoromethylpropiophenone

HCID 136554CAS 711-33-1

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Grundinformationen

Standard-SMILES: CCC(=O)c1ccc(C(F)(F)F)cc1
InChIKey: QFKOWENRSZZLPK-UHFFFAOYSA-N
Summenformel: C10H9F3O
Durchschnittliche Molmasse: 202,17 g/mol
Monoisotopische Masse: 202,06054957

Namen und Bezeichner

Bevorzugter Name: p-Trifluoromethylpropiophenone
IUPAC: 1-[4-(trifluoromethyl)phenyl]propan-1-one
Englischer Name: 4'-(Trifluoromethyl)propiophenone
Summenformel: C10H9F3O
Molmasse: 202.17

Namen und Synonyme

711-33-11-(4-(Trifluoromethyl)phenyl)propan-1-one1-[4-(trifluoromethyl)phenyl]propan-1-onep-TrifluoromethylpropiophenoneDTXSID40221318RefChem:858259DTXCID40143809626-720-04'-(Trifluoromethyl)propiophenone4-(Trifluoromethyl)propiophenone4-TrifluoromethylpropiophenoneMFCD00039231

Weitere Namen anzeigen

4'-(Trifluoromethyl)propiophenone 97%4'-(Trifluoromethyl)propiophenone,97%Ethyl 4-(trifluoromethyl)phenyl ketonep-Trifluoromethylpropiophenone, min. 97%

1-[4-(trifluoromethyl)phenyl]-1-propanone1-Propanone, 1-[4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethy1-(4-trifluoromethyl-phenyl)-propan-1-oneghl.PD_Mitscher_leg0.340SCHEMBL478183SCHEMBL2095082SCHEMBL7228800

Datenbank-Bezeichner

CAS: 711-33-1
PubChem CID: 136554
DTXSID: DTXSID40221318
EC Number: 626-720-0
Nikkaji: J1.599.891A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 202

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-39 °C(lit.)
Siedepunkt: 216 °C · 216 °C(lit.)
Dichte: 1 · 1,973 g/cm3
Flammpunkt: 210 °F · 210 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: fused solid
Farbe: White/colourless
BRN: 1874014 · 1874014
InChI: 1S/C10H9F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6H,2H2,1H3
InChIKey: QFKOWENRSZZLPK-UHFFFAOYSA-N
SMILES: CCC(=O)c1ccc(cc1)C(F)(F)F
CAS Datenbank: 711 · 711-33-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Trifluoromethyl)propiophenone is used as a reagent in the preparation of ketones and alcohols in organic synthesis. It is also used as a starting material for the synthesis of various compounds such as 4-(trifluoromethyl)phenylacetic acid, which is used as a building block in the synthesis of pharmaceuticals.